2,2-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide Openeye Name: 2,2-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide CAS Name: 2,2-dimethyl-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide Traditional Name: 2,2-dimethyl-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]propionamide Formula: C16H23N3O3S2 MolecularWeight: 369.50212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S2/c1-16(2,3)14(20)18-15(23)17-12-6-8-13(9-7-12)24(21,22)19-10-4-5-11-19/h6-9H,4-5,10-11H2,1-3H3,(H2,17,18,20,23)