3-methyl-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]butanamide Traditional Name: N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C17H26N4O3S2 MolecularWeight: 398.54334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H26N4O3S2/c1-13(2)12-16(22)19-17(25)18-14-4-6-15(7-5-14)20-8-10-21(11-9-20)26(3,23)24/h4-7,13H,8-12H2,1-3H3,(H2,18,19,22,25)