methyl 3-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[[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=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O5S/c1-30-20(29)15-4-2-3-14(11-15)18(27)23-21(31)25-24-19(28)13-7-9-16(10-8-13)22-17(26)12-5-6-12/h2-4,7-12H,5-6H2,1H3,(H,22,26)(H,24,28)(H2,23,25,27,31)