N-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(2-chloro-5-pyrrolidinosulfonyl-phenyl)thiocarbamoyl]-3-methyl-butyramide Formula: C16H22ClN3O3S2 MolecularWeight: 403.94718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O3S2/c1-11(2)9-15(21)19-16(24)18-14-10-12(5-6-13(14)17)25(22,23)20-7-3-4-8-20/h5-6,10-11H,3-4,7-9H2,1-2H3,(H2,18,19,21,24)