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

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O5S/c1-30-19-14-17(15-20(31-2)21(19)32-3)22(28)26-24(33)25-18-10-8-16(9-11-18)23(29)27-12-6-4-5-7-13-27/h8-11,14-15H,4-7,12-13H2,1-3H3,(H2,25,26,28,33)