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

Systemtic Name: N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-16(2)17-8-10-18(11-9-17)21(28)25-23(30)24-20-7-5-4-6-19(20)22(29)27-14-12-26(3)13-15-27/h4-11,16H,12-15H2,1-3H3,(H2,24,25,28,30)