2-ethylsulfanyl-5-(phenylcarbonylcarbamothioylamino)-1H-pyrrole-3,4-dicarboxamide

Systemtic Name: 2-ethylsulfanyl-5-(phenylcarbonylcarbamothioylamino)-1H-pyrrole-3,4-dicarboxamide Openeye Name: 2-(benzoylcarbamothioylamino)-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-5-(ethylthio)-1H-pyrrole-3,4-dicarboxamide IUPAC Name: 2-(benzoylcarbamothioylamino)-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide Traditional Name: 2-(benzoylthiocarbamoylamino)-5-(ethylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C16H17N5O3S2 MolecularWeight: 391.46788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O3S2/c1-2-26-15-10(12(18)23)9(11(17)22)13(19-15)20-16(25)21-14(24)8-6-4-3-5-7-8/h3-7,19H,2H2,1H3,(H2,17,22)(H2,18,23)(H2,20,21,24,25)