3-methyl-N-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]butanamide Traditional Name: 3-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoyl]butyramide Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N2CCCC2

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N2CCCC2

InChI

InChI=1S/C17H23N3O2S/c1-12(2)11-15(21)19-17(23)18-14-7-5-13(6-8-14)16(22)20-9-3-4-10-20/h5-8,12H,3-4,9-11H2,1-2H3,(H2,18,19,21,23)