N-[5-(1,4-diazepan-1-ylcarbonyl)-1-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholinoethyl)butanamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinyl]-3,3-dimethyl-N-[2-(4-morpholinyl)ethyl]butanamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(2-thenoyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholinoethyl)butyramide Formula: C27H43N5O4S MolecularWeight: 533.72642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CCN1CCOCC1)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)N4CCCNCC4

Isomeric SMILES

CC(C)(C)CC(=O)N(CCN1CCOCC1)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)N4CCCNCC4

InChI

InChI=1S/C27H43N5O4S/c1-27(2,3)19-24(33)31(12-11-29-13-15-36-16-14-29)21-18-22(25(34)30-9-5-7-28-8-10-30)32(20-21)26(35)23-6-4-17-37-23/h4,6,17,21-22,28H,5,7-16,18-20H2,1-3H3