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

Systemtic Name: N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C23H28N4O3S MolecularWeight: 440.55842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C

InChI

InChI=1S/C23H28N4O3S/c1-16(2)30-18-8-6-7-17(15-18)21(28)25-23(31)24-20-10-5-4-9-19(20)22(29)27-13-11-26(3)12-14-27/h4-10,15-16H,11-14H2,1-3H3,(H2,24,25,28,31)