N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]cyclohexanecarboxamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]cyclohexanecarboxamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[3-[2-(3-thienyl)ethoxy]phenyl]methyl]cyclohexanecarboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-N-[[3-[2-(3-thiophenyl)ethoxy]phenyl]methyl]cyclohexanecarboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]cyclohexanecarboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-[3-[2-(3-thienyl)ethoxy]benzyl]cyclohexanecarboxamide Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC(=CC=C2)OCCC3=CSC=C3)C4CCCCNC4=O

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC(=CC=C2)OCCC3=CSC=C3)[C@H]4CCCCNC4=O

InChI

InChI=1S/C26H34N2O3S/c29-25-24(11-4-5-14-27-25)28(26(30)22-8-2-1-3-9-22)18-21-7-6-10-23(17-21)31-15-12-20-13-16-32-19-20/h6-7,10,13,16-17,19,22,24H,1-5,8-9,11-12,14-15,18H2,(H,27,29)/t24-/m0/s1