N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: N-[[4-(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=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3OCCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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