N-[5-(1,4-diazepan-1-ylcarbonyl)-1-(4-methylphenyl)carbonyl-pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-(4-methylphenyl)carbonyl-pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-N-(tetrahydrofuran-2-ylmethyl)thiophene-2-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[(4-methylphenyl)-oxomethyl]-3-pyrrolidinyl]-N-(2-oxolanylmethyl)-2-thiophenecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-p-toluoyl-pyrrolidin-3-yl]-N-(tetrahydrofurfuryl)thiophene-2-carboxamide Formula: C28H36N4O4S MolecularWeight: 524.67484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CC4CCCO4)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CC4CCCO4)C(=O)C5=CC=CS5

InChI

InChI=1S/C28H36N4O4S/c1-20-7-9-21(10-8-20)26(33)32-18-22(17-24(32)27(34)30-13-4-11-29-12-14-30)31(19-23-5-2-15-36-23)28(35)25-6-3-16-37-25/h3,6-10,16,22-24,29H,2,4-5,11-15,17-19H2,1H3