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

Systemtic Name: methyl 4-[4-aminocarbonyl-5-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]pyrazol-1-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-5-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]pyrazol-1-yl]benzoate CAS Name: 4-[4-carbamoyl-5-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-1-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-5-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]pyrazol-1-yl]benzoate Traditional Name: 4-[4-carbamoyl-5-[(3,4,5-trimethoxybenzoyl)thiocarbamoylamino]pyrazol-1-yl]benzoic acid methyl ester Formula: C23H23N5O7S MolecularWeight: 513.52302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=C(C=NN2C3=CC=C(C=C3)C(=O)OC)C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=C(C=NN2C3=CC=C(C=C3)C(=O)OC)C(=O)N

InChI

InChI=1S/C23H23N5O7S/c1-32-16-9-13(10-17(33-2)18(16)34-3)21(30)27-23(36)26-20-15(19(24)29)11-25-28(20)14-7-5-12(6-8-14)22(31)35-4/h5-11H,1-4H3,(H2,24,29)(H2,26,27,30,36)