4-(azepan-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S2)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S2)C)C

InChI

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