N-[5-(1,4-diazepan-1-ylcarbonyl)-1-ethanoyl-pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-ethanoyl-pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide Openeye Name: N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide CAS Name: N-[1-acetyl-5-[1,4-diazepan-1-yl(oxo)methyl]-3-pyrrolidinyl]-N-phenethyl-2-thiophenecarboxamide IUPAC Name: N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-phenethylthiophene-2-carboxamide Traditional Name: N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)N2CCCNCC2)N(CCC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)N2CCCNCC2)N(CCC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H32N4O3S/c1-19(30)29-18-21(17-22(29)24(31)27-13-6-11-26-12-15-27)28(25(32)23-9-5-16-33-23)14-10-20-7-3-2-4-8-20/h2-5,7-9,16,21-22,26H,6,10-15,17-18H2,1H3