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

Systemtic Name: 3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]butanamide Openeye Name: 3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]butanamide CAS Name: 3-methyl-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]butanamide Traditional Name: 3-methyl-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]butyramide Formula: C16H23N3O3S2 MolecularWeight: 369.50212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S2/c1-12(2)11-15(20)18-16(23)17-13-5-7-14(8-6-13)24(21,22)19-9-3-4-10-19/h5-8,12H,3-4,9-11H2,1-2H3,(H2,17,18,20,23)