2-[[N-azanyl-N'-(phenylcarbonyl)carbamimidoyl]amino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide

Systemtic Name: 2-[[N-azanyl-N'-(phenylcarbonyl)carbamimidoyl]amino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide Openeye Name: 2-[(N-amino-N'-benzoyl-carbamimidoyl)amino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: 2-[[benzoylimino(hydrazinyl)methyl]amino]-5-(ethylthio)-1H-pyrrole-3,4-dicarboxamide IUPAC Name: 2-[(N-amino-N'-benzoylcarbamimidoyl)amino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide Traditional Name: 2-[(N-amino-N'-benzoyl-amidino)amino]-5-(ethylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C16H19N7O3S MolecularWeight: 389.43216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N7O3S/c1-2-27-15-10(12(18)25)9(11(17)24)13(20-15)21-16(23-19)22-14(26)8-6-4-3-5-7-8/h3-7,20H,2,19H2,1H3,(H2,17,24)(H2,18,25)(H2,21,22,23,26)