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

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O2S/c1-14(2)13-17(23)21-19(25)20-16-9-7-15(8-10-16)18(24)22-11-5-3-4-6-12-22/h7-10,14H,3-6,11-13H2,1-2H3,(H2,20,21,23,25)