2-[[N-(2-chlorophenyl)carbonyl-N'-propan-2-yl-carbamimidoyl]amino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide

Systemtic Name: 2-[[N-(2-chlorophenyl)carbonyl-N'-propan-2-yl-carbamimidoyl]amino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide Openeye Name: 2-[[N-(2-chlorobenzoyl)-N'-isopropyl-carbamimidoyl]amino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: 2-[[[[(2-chlorophenyl)-oxomethyl]amino]-propan-2-yliminomethyl]amino]-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide IUPAC Name: 2-[[N-(2-chlorobenzoyl)-N'-propan-2-ylcarbamimidoyl]amino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide Traditional Name: 2-[[N-(2-chlorobenzoyl)-N'-isopropyl-amidino]amino]-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C18H21ClN6O3S MolecularWeight: 436.91574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(NC1=C(C(=C(N1)SC)C(=O)N)C(=O)N)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CC(C)N=C(NC1=C(C(=C(N1)SC)C(=O)N)C(=O)N)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C18H21ClN6O3S/c1-8(2)22-18(25-16(28)9-6-4-5-7-10(9)19)24-15-11(13(20)26)12(14(21)27)17(23-15)29-3/h4-8,23H,1-3H3,(H2,20,26)(H2,21,27)(H2,22,24,25,28)