2-[(2-chlorophenyl)carbonylcarbamothioylamino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide

Systemtic Name: 2-[(2-chlorophenyl)carbonylcarbamothioylamino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide Openeye Name: 2-[(2-chlorobenzoyl)carbamothioylamino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: 2-[[[[(2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide IUPAC Name: 2-[(2-chlorobenzoyl)carbamothioylamino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide Traditional Name: 2-[(2-chlorobenzoyl)thiocarbamoylamino]-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C15H14ClN5O3S2 MolecularWeight: 411.88636

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(N1)NC(=S)NC(=O)C2=CC=CC=C2Cl)C(=O)N)C(=O)N

Isomeric SMILES

CSC1=C(C(=C(N1)NC(=S)NC(=O)C2=CC=CC=C2Cl)C(=O)N)C(=O)N

InChI

InChI=1S/C15H14ClN5O3S2/c1-26-14-9(11(18)23)8(10(17)22)12(19-14)20-15(25)21-13(24)6-4-2-3-5-7(6)16/h2-5,19H,1H3,(H2,17,22)(H2,18,23)(H2,20,21,24,25)