N-[4-[(2Z)-5,6-bis(chloranyl)-3-ethyl-2-[(Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]butylsulfonyl]ethanamide bromide

Systemtic Name: N-[4-[(2Z)-5,6-bis(chloranyl)-3-ethyl-2-[(Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]butylsulfonyl]ethanamide bromide Openeye Name: N-[4-[(2Z)-5,6-dichloro-3-ethyl-2-[(Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]butylsulfonyl]acetamide bromide CAS Name: N-[4-[(2Z)-5,6-dichloro-3-ethyl-2-[(Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1-benzimidazolyl]butylsulfonyl]acetamide bromide IUPAC Name: N-[4-[(2Z)-5,6-dichloro-3-ethyl-2-[(Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]butylsulfonyl]acetamide bromide Traditional Name: N-[4-[(2Z)-5,6-dichloro-3-ethyl-2-[(Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]butylsulfonyl]acetamide bromide Formula: C33H35BrCl2N4O4S MolecularWeight: 734.5304

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2N(C1=CC=CC3=[N+](C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CC)CCCCS(=O)(=O)NC(=O)C)Cl)Cl.[Br-]

Isomeric SMILES

CCN\1C2=CC(=C(C=C2N(/C1=C\C=C/C3=[N+](C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CC)CCCCS(=O)(=O)NC(=O)C)Cl)Cl.[Br-]

InChI

InChI=1S/C33H34Cl2N4O4S.BrH/c1-4-37-28-21-26(34)27(35)22-29(28)39(18-9-10-19-44(41,42)36-23(3)40)32(37)14-11-15-33-38(5-2)30-20-25(16-17-31(30)43-33)24-12-7-6-8-13-24;/h6-8,11-17,20-22H,4-5,9-10,18-19H2,1-3H3;1H