methyl 4-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3

InChI

InChI=1S/C21H20N4O5S/c1-30-20(29)15-6-4-13(5-7-15)18(27)23-21(31)25-24-19(28)14-8-10-16(11-9-14)22-17(26)12-2-3-12/h4-12H,2-3H2,1H3,(H,22,26)(H,24,28)(H2,23,25,27,31)