N-[4-[2-(4-methoxyphenyl)azepan-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[2-(4-methoxyphenyl)azepan-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[2-(4-methoxyphenyl)azepan-1-yl]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[2-(4-methoxyphenyl)-1-azepanyl]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[2-(4-methoxyphenyl)azepan-1-yl]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-keto-4-[2-(4-methoxyphenyl)azepan-1-yl]butyl]thiophene-3-carboxamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C22H28N2O3S/c1-27-19-10-8-17(9-11-19)20-6-3-2-4-14-24(20)21(25)7-5-13-23-22(26)18-12-15-28-16-18/h8-12,15-16,20H,2-7,13-14H2,1H3,(H,23,26)