N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide Openeye Name: N-[(4-isopropoxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]thiophene-2-carboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-N-[(4-propan-2-yloxyphenyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide Traditional Name: N-(4-isopropoxybenzyl)-N-[(3S)-2-ketoazepan-3-yl]thiophene-2-carboxamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CN(C2CCCCNC2=O)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CN([C@H]2CCCCNC2=O)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N2O3S/c1-15(2)26-17-10-8-16(9-11-17)14-23(21(25)19-7-5-13-27-19)18-6-3-4-12-22-20(18)24/h5,7-11,13,15,18H,3-4,6,12,14H2,1-2H3,(H,22,24)/t18-/m0/s1