N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C23H29N3O6S2 MolecularWeight: 507.62286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O6S2/c1-30-19-14-16(15-20(31-2)21(19)32-3)22(27)25-23(33)24-17-8-10-18(11-9-17)34(28,29)26-12-6-4-5-7-13-26/h8-11,14-15H,4-7,12-13H2,1-3H3,(H2,24,25,27,33)