N-[5-(1,4-diazepan-1-ylcarbonyl)-1-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]-2-methyl-N-phenethyl-propanamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-thiophen-2-ylcarbonyl-pyrrolidin-3-yl]-2-methyl-N-phenethyl-propanamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-2-methyl-N-phenethyl-propanamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinyl]-2-methyl-N-phenethylpropanamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-2-methyl-N-phenethylpropanamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(2-thenoyl)pyrrolidin-3-yl]-2-methyl-N-phenethyl-propionamide Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CCC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)N4CCCNCC4

Isomeric SMILES

CC(C)C(=O)N(CCC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)N4CCCNCC4

InChI

InChI=1S/C27H36N4O3S/c1-20(2)25(32)30(15-11-21-8-4-3-5-9-21)22-18-23(26(33)29-14-7-12-28-13-16-29)31(19-22)27(34)24-10-6-17-35-24/h3-6,8-10,17,20,22-23,28H,7,11-16,18-19H2,1-2H3