methyl 4-(4-methylpiperazin-1-yl)-3-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 3-[(3-isobutoxybenzoyl)carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 3-[(3-isobutoxybenzoyl)thiocarbamoylamino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C25H32N4O4S MolecularWeight: 484.61098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C

InChI

InChI=1S/C25H32N4O4S/c1-17(2)16-33-20-7-5-6-18(14-20)23(30)27-25(34)26-21-15-19(24(31)32-4)8-9-22(21)29-12-10-28(3)11-13-29/h5-9,14-15,17H,10-13,16H2,1-4H3,(H2,26,27,30,34)