N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-phenyl-propionamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c27-21(15-10-18-8-4-3-5-9-18)25-23(29)24-20-13-11-19(12-14-20)22(28)26-16-6-1-2-7-17-26/h3-5,8-9,11-14H,1-2,6-7,10,15-17H2,(H2,24,25,27,29)