N-[N-(3-methylphenyl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]thiophene-2-carboxamide

Systemtic Name: N-[N-(3-methylphenyl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]thiophene-2-carboxamide Openeye Name: N-[N-(m-tolyl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]thiophene-2-carboxamide CAS Name: N-[(3-methylanilino)-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-2-thiophenecarboxamide IUPAC Name: N-[N-(3-methylphenyl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]thiophene-2-carboxamide Traditional Name: N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(m-tolyl)amidino]thiophene-2-carboxamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C25H31N5O3S/c1-18-8-6-9-19(16-18)26-25(28-23(32)21-11-7-15-34-21)27-20-10-2-3-14-30(24(20)33)17-22(31)29-12-4-5-13-29/h6-9,11,15-16,20H,2-5,10,12-14,17H2,1H3,(H2,26,27,28,32)