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

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]valeramide Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N2CCCCCC2

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N2CCCCCC2

InChI

InChI=1S/C19H27N3O2S/c1-2-3-8-17(23)21-19(25)20-16-11-9-15(10-12-16)18(24)22-13-6-4-5-7-14-22/h9-12H,2-8,13-14H2,1H3,(H2,20,21,23,25)