methyl 4-[[4-[(4-methoxyphenyl)amino]phenyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[4-[(4-methoxyphenyl)amino]phenyl]carbamothioylamino]benzoate Openeye Name: methyl 4-[[4-(4-methoxyanilino)phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-(4-methoxyanilino)anilino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methoxyanilino)phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-(p-anisidino)phenyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H21N3O3S/c1-27-20-13-11-17(12-14-20)23-16-7-9-19(10-8-16)25-22(29)24-18-5-3-15(4-6-18)21(26)28-2/h3-14,23H,1-2H3,(H2,24,25,29)