N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide

Systemtic Name: N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide Openeye Name: N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide CAS Name: N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-(1-azepanylsulfonyl)benzamide IUPAC Name: N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide Traditional Name: N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S2)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S2)C

InChI

InChI=1S/C23H26N4O4S2/c1-16(28)24-18-9-12-20-21(15-18)32-23(26(20)2)25-22(29)17-7-10-19(11-8-17)33(30,31)27-13-5-3-4-6-14-27/h7-12,15H,3-6,13-14H2,1-2H3,(H,24,28)