methyl 4-(4-methylpiperazin-1-yl)-3-[(4-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(4-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 3-[(4-isopropoxybenzoyl)carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate Traditional Name: 3-[(4-isopropoxybenzoyl)thiocarbamoylamino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C24H30N4O4S MolecularWeight: 470.5844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C

InChI

InChI=1S/C24H30N4O4S/c1-16(2)32-19-8-5-17(6-9-19)22(29)26-24(33)25-20-15-18(23(30)31-4)7-10-21(20)28-13-11-27(3)12-14-28/h5-10,15-16H,11-14H2,1-4H3,(H2,25,26,29,33)