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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(7-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H24ClN3O3S2 MolecularWeight: 478.02726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O3S2/c1-15-7-12-18(23)20-19(15)25(2)22(30-20)24-21(27)16-8-10-17(11-9-16)31(28,29)26-13-5-3-4-6-14-26/h7-12H,3-6,13-14H2,1-2H3