N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: 3-isobutoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: 3-isobutoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C

InChI

InChI=1S/C24H30N4O3S/c1-17(2)16-31-19-8-6-7-18(15-19)22(29)26-24(32)25-21-10-5-4-9-20(21)23(30)28-13-11-27(3)12-14-28/h4-10,15,17H,11-14,16H2,1-3H3,(H2,25,26,29,32)