N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]-2-thiophen-3-yl-ethanamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]-2-thiophen-3-yl-ethanamide Openeye Name: N-[(4-isopropoxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-2-(3-thienyl)acetamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-N-[(4-propan-2-yloxyphenyl)methyl]-2-(3-thiophenyl)acetamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]-2-thiophen-3-ylacetamide Traditional Name: N-(4-isopropoxybenzyl)-N-[(3S)-2-ketoazepan-3-yl]-2-(3-thienyl)acetamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CN(C2CCCCNC2=O)C(=O)CC3=CSC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CN([C@H]2CCCCNC2=O)C(=O)CC3=CSC=C3

InChI

InChI=1S/C22H28N2O3S/c1-16(2)27-19-8-6-17(7-9-19)14-24(20-5-3-4-11-23-22(20)26)21(25)13-18-10-12-28-15-18/h6-10,12,15-16,20H,3-5,11,13-14H2,1-2H3,(H,23,26)/t20-/m0/s1