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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C25H31N5O4S/c1-34-19-11-9-18(10-12-19)26-25(28-23(32)21-8-6-16-35-21)27-20-7-2-3-15-30(24(20)33)17-22(31)29-13-4-5-14-29/h6,8-12,16,20H,2-5,7,13-15,17H2,1H3,(H2,26,27,28,32)