methyl 4-methoxy-3-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-methoxy-3-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-methoxy-3-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]benzoate CAS Name: 4-methoxy-3-[[(2-methoxy-5-phenylanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methoxy-3-[(2-methoxy-5-phenylphenyl)carbamothioylamino]benzoate Traditional Name: 4-methoxy-3-[(2-methoxy-5-phenyl-phenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)OC

InChI

InChI=1S/C23H22N2O4S/c1-27-20-11-9-16(15-7-5-4-6-8-15)13-18(20)24-23(30)25-19-14-17(22(26)29-3)10-12-21(19)28-2/h4-14H,1-3H3,(H2,24,25,30)