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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-(4-methylphenyl)carbonyl-pyrrolidin-3-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[(4-methylphenyl)-oxomethyl]-3-pyrrolidinyl]-N-(2-methoxyethyl)-2-thiophenecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-p-toluoyl-pyrrolidin-3-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide Formula: C26H34N4O4S MolecularWeight: 498.63756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCOC)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCOC)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H34N4O4S/c1-19-6-8-20(9-7-19)24(31)30-18-21(17-22(30)25(32)28-12-4-10-27-11-13-28)29(14-15-34-2)26(33)23-5-3-16-35-23/h3,5-9,16,21-22,27H,4,10-15,17-18H2,1-2H3