3-methyl-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]butanamide Traditional Name: 3-methyl-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]butyramide Formula: C18H26N4O2S MolecularWeight: 362.48964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCN(CC2)C

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCN(CC2)C

InChI

InChI=1S/C18H26N4O2S/c1-13(2)12-16(23)20-18(25)19-15-7-5-4-6-14(15)17(24)22-10-8-21(3)9-11-22/h4-7,13H,8-12H2,1-3H3,(H2,19,20,23,25)