methyl 4-[[(4-methoxyphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[(4-methoxyphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[(4-methoxybenzoyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[(4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-methoxybenzoyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(p-anisoylamino)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-25-14-9-7-12(8-10-14)16(23)20-21-18(27)19-15(22)11-3-5-13(6-4-11)17(24)26-2/h3-10H,1-2H3,(H,20,23)(H2,19,21,22,27)