N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3OCCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3OCCC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O3S/c33-27(24-15-7-9-17-26(24)35-21-18-22-12-4-3-5-13-22)31-29(36)30-25-16-8-6-14-23(25)28(34)32-19-10-1-2-11-20-32/h3-9,12-17H,1-2,10-11,18-21H2,(H2,30,31,33,36)