N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(2-ethylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(2-ethylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[(2-ethyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[(2-ethyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(2-ethylpiperidino)sulfonyl-benzamide Formula: C24H28BrN3O4S2 MolecularWeight: 566.53082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CCOC

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CCOC

InChI

InChI=1S/C24H28BrN3O4S2/c1-3-19-6-4-5-13-28(19)34(30,31)20-10-7-17(8-11-20)23(29)26-24-27(14-15-32-2)21-12-9-18(25)16-22(21)33-24/h7-12,16,19H,3-6,13-15H2,1-2H3