N-[N-(4-methoxyphenyl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]thiophene-3-carboxamide

Systemtic Name: N-[N-(4-methoxyphenyl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]thiophene-3-carboxamide Openeye Name: N-[N-(4-methoxyphenyl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]thiophene-3-carboxamide CAS Name: N-[(4-methoxyanilino)-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-3-thiophenecarboxamide IUPAC Name: N-[N-(4-methoxyphenyl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]thiophene-3-carboxamide Traditional Name: N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(4-methoxyphenyl)amidino]thiophene-3-carboxamide Formula: C25H31N5O4S MolecularWeight: 497.60974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC(=O)C4=CSC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC(=O)C4=CSC=C4

InChI

InChI=1S/C25H31N5O4S/c1-34-20-9-7-19(8-10-20)26-25(28-23(32)18-11-15-35-17-18)27-21-6-2-3-14-30(24(21)33)16-22(31)29-12-4-5-13-29/h7-11,15,17,21H,2-6,12-14,16H2,1H3,(H2,26,27,28,32)