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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-ethanoyl-pyrrolidin-3-yl]-N-(2-methylpropyl)thiophene-2-carboxamide Openeye Name: N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-isobutyl-thiophene-2-carboxamide CAS Name: N-[1-acetyl-5-[1,4-diazepan-1-yl(oxo)methyl]-3-pyrrolidinyl]-N-(2-methylpropyl)-2-thiophenecarboxamide IUPAC Name: N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methylpropyl)thiophene-2-carboxamide Traditional Name: N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-isobutyl-thiophene-2-carboxamide Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1CC(N(C1)C(=O)C)C(=O)N2CCCNCC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)CN(C1CC(N(C1)C(=O)C)C(=O)N2CCCNCC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H32N4O3S/c1-15(2)13-25(21(28)19-6-4-11-29-19)17-12-18(24(14-17)16(3)26)20(27)23-9-5-7-22-8-10-23/h4,6,11,15,17-18,22H,5,7-10,12-14H2,1-3H3