methyl 4-(4-methylpiperazin-1-yl)-3-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-(4-methylpiperazino)-3-[(3,4,5-trimethoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C24H30N4O6S MolecularWeight: 502.5832

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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)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O6S/c1-27-8-10-28(11-9-27)18-7-6-15(23(30)34-5)12-17(18)25-24(35)26-22(29)16-13-19(31-2)21(33-4)20(14-16)32-3/h6-7,12-14H,8-11H2,1-5H3,(H2,25,26,29,35)