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

Systemtic Name: 2-[(2-chlorophenyl)carbonylcarbamothioylamino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide Openeye Name: 2-[(2-chlorobenzoyl)carbamothioylamino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: 2-[[[[(2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-(ethylthio)-1H-pyrrole-3,4-dicarboxamide IUPAC Name: 2-[(2-chlorobenzoyl)carbamothioylamino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide Traditional Name: 2-[(2-chlorobenzoyl)thiocarbamoylamino]-5-(ethylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C16H16ClN5O3S2 MolecularWeight: 425.91294

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=C(N1)NC(=S)NC(=O)C2=CC=CC=C2Cl)C(=O)N)C(=O)N

Isomeric SMILES

CCSC1=C(C(=C(N1)NC(=S)NC(=O)C2=CC=CC=C2Cl)C(=O)N)C(=O)N

InChI

InChI=1S/C16H16ClN5O3S2/c1-2-27-15-10(12(19)24)9(11(18)23)13(20-15)21-16(26)22-14(25)7-5-3-4-6-8(7)17/h3-6,20H,2H2,1H3,(H2,18,23)(H2,19,24)(H2,21,22,25,26)