methyl 3-(phenylcarbonylcarbamothioylamino)-4-(phenylmethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3-(phenylcarbonylcarbamothioylamino)-4-(phenylmethyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-(benzoylcarbamothioylamino)-4-benzyl-1H-pyrrole-2-carboxylate CAS Name: 3-[[benzamido(sulfanylidene)methyl]amino]-4-(phenylmethyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(benzoylcarbamothioylamino)-4-benzyl-1H-pyrrole-2-carboxylate Traditional Name: 3-(benzoylthiocarbamoylamino)-4-benzyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)CC2=CC=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CC2=CC=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3S/c1-27-20(26)18-17(16(13-22-18)12-14-8-4-2-5-9-14)23-21(28)24-19(25)15-10-6-3-7-11-15/h2-11,13,22H,12H2,1H3,(H2,23,24,25,28)