N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-naphthalen-1-yl-ethanamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-naphthalen-1-yl-ethanamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(1-naphthyl)acetamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2-(1-naphthalenyl)acetamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-2-(1-naphthyl)acetamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H27N3O2S/c30-24(18-21-10-7-9-19-8-3-4-11-23(19)21)28-26(32)27-22-14-12-20(13-15-22)25(31)29-16-5-1-2-6-17-29/h3-4,7-15H,1-2,5-6,16-18H2,(H2,27,28,30,32)