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

Systemtic Name: 3-methyl-N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide Openeye Name: N-[(4-isopropoxyphenyl)methyl]-3-methyl-N-[(3S)-2-oxoazepan-3-yl]thiophene-2-carboxamide CAS Name: 3-methyl-N-[(3S)-2-oxo-3-azepanyl]-N-[(4-propan-2-yloxyphenyl)methyl]-2-thiophenecarboxamide IUPAC Name: 3-methyl-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]-3-methyl-thiophene-2-carboxamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N(CC2=CC=C(C=C2)OC(C)C)C3CCCCNC3=O

Isomeric SMILES

CC1=C(SC=C1)C(=O)N(CC2=CC=C(C=C2)OC(C)C)[C@H]3CCCCNC3=O

InChI

InChI=1S/C22H28N2O3S/c1-15(2)27-18-9-7-17(8-10-18)14-24(19-6-4-5-12-23-21(19)25)22(26)20-16(3)11-13-28-20/h7-11,13,15,19H,4-6,12,14H2,1-3H3,(H,23,25)/t19-/m0/s1