3-[4-[[5,6-bis(chloranyl)-2-methyl-3-prop-2-ynyl-benzimidazol-1-ium-1-yl]methyl]phenyl]-1-methyl-1-phenyl-thiourea

Systemtic Name: 3-[4-[[5,6-bis(chloranyl)-2-methyl-3-prop-2-ynyl-benzimidazol-1-ium-1-yl]methyl]phenyl]-1-methyl-1-phenyl-thiourea Openeye Name: 3-[4-[(5,6-dichloro-2-methyl-3-prop-2-ynyl-benzimidazol-1-ium-1-yl)methyl]phenyl]-1-methyl-1-phenyl-thiourea CAS Name: 3-[4-[(5,6-dichloro-2-methyl-3-prop-2-ynyl-1-benzimidazol-1-iumyl)methyl]phenyl]-1-methyl-1-phenylthiourea IUPAC Name: 3-[4-[(5,6-dichloro-2-methyl-3-prop-2-ynylbenzimidazol-1-ium-1-yl)methyl]phenyl]-1-methyl-1-phenylthiourea Traditional Name: 3-[4-[(5,6-dichloro-2-methyl-3-propargyl-benzimidazol-1-ium-1-yl)methyl]phenyl]-1-methyl-1-phenyl-thiourea Formula: C26H23Cl2N4S+ MolecularWeight: 494.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC(=C(C=C2N1CC#C)Cl)Cl)CC3=CC=C(C=C3)NC(=S)N(C)C4=CC=CC=C4

Isomeric SMILES

CC1=[N+](C2=CC(=C(C=C2N1CC#C)Cl)Cl)CC3=CC=C(C=C3)NC(=S)N(C)C4=CC=CC=C4

InChI

InChI=1S/C26H22Cl2N4S/c1-4-14-31-18(2)32(25-16-23(28)22(27)15-24(25)31)17-19-10-12-20(13-11-19)29-26(33)30(3)21-8-6-5-7-9-21/h1,5-13,15-16H,14,17H2,2-3H3/p+1