methyl 4-(4-methylpiperazin-1-yl)-3-[(4-phenylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(4-phenylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-(4-methylpiperazino)-3-[(4-phenylbenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C27H28N4O3S MolecularWeight: 488.60122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O3S/c1-30-14-16-31(17-15-30)24-13-12-22(26(33)34-2)18-23(24)28-27(35)29-25(32)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-13,18H,14-17H2,1-2H3,(H2,28,29,32,35)