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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-(3-methoxyphenyl)carbonyl-pyrrolidin-3-yl]-N-(2-methylpropyl)thiophene-2-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-isobutyl-thiophene-2-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[(3-methoxyphenyl)-oxomethyl]-3-pyrrolidinyl]-N-(2-methylpropyl)-2-thiophenecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-(2-methylpropyl)thiophene-2-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-m-anisoyl-pyrrolidin-3-yl]-N-isobutyl-thiophene-2-carboxamide Formula: C27H36N4O4S MolecularWeight: 512.66414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1CC(N(C1)C(=O)C2=CC(=CC=C2)OC)C(=O)N3CCCNCC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)CN(C1CC(N(C1)C(=O)C2=CC(=CC=C2)OC)C(=O)N3CCCNCC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H36N4O4S/c1-19(2)17-30(27(34)24-9-5-14-36-24)21-16-23(26(33)29-12-6-10-28-11-13-29)31(18-21)25(32)20-7-4-8-22(15-20)35-3/h4-5,7-9,14-15,19,21,23,28H,6,10-13,16-18H2,1-3H3