4-(azepan-1-ylsulfonyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)N2C

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)N2C

InChI

InChI=1S/C23H27N3O3S2/c1-16-8-9-17(2)21-20(16)25(3)23(30-21)24-22(27)18-10-12-19(13-11-18)31(28,29)26-14-6-4-5-7-15-26/h8-13H,4-7,14-15H2,1-3H3