N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S/c31-25(22-12-10-21(11-13-22)20-8-4-3-5-9-20)29-27(33)28-24-16-14-23(15-17-24)26(32)30-18-6-1-2-7-19-30/h3-5,8-17H,1-2,6-7,18-19H2,(H2,28,29,31,33)