methyl 4-[(2-chlorophenyl)methyl]-3-(phenylcarbonylcarbamothioylamino)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[(2-chlorophenyl)methyl]-3-(phenylcarbonylcarbamothioylamino)-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-(benzoylcarbamothioylamino)-4-[(2-chlorophenyl)methyl]-1H-pyrrole-2-carboxylate CAS Name: 3-[[benzamido(sulfanylidene)methyl]amino]-4-[(2-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(benzoylcarbamothioylamino)-4-[(2-chlorophenyl)methyl]-1H-pyrrole-2-carboxylate Traditional Name: 3-(benzoylthiocarbamoylamino)-4-(2-chlorobenzyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)CC2=CC=CC=C2Cl)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CC2=CC=CC=C2Cl)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3O3S/c1-28-20(27)18-17(15(12-23-18)11-14-9-5-6-10-16(14)22)24-21(29)25-19(26)13-7-3-2-4-8-13/h2-10,12,23H,11H2,1H3,(H2,24,25,26,29)