4-acetamido-N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide

Systemtic Name: 4-acetamido-N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide Openeye Name: 4-acetamido-N-[[3,5-dimethoxy-4-[2-(3-thienyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 4-acetamido-N-[[3,5-dimethoxy-4-[2-(3-thiophenyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]benzamide IUPAC Name: 4-acetamido-N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]benzamide Traditional Name: 4-acetamido-N-[3,5-dimethoxy-4-[2-(3-thienyl)ethoxy]benzyl]-N-[(3S)-2-ketoazepan-3-yl]benzamide Formula: C30H35N3O6S MolecularWeight: 565.6804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C(=C2)OC)OCCC3=CSC=C3)OC)C4CCCCNC4=O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C(=C2)OC)OCCC3=CSC=C3)OC)[C@H]4CCCCNC4=O

InChI

InChI=1S/C30H35N3O6S/c1-20(34)32-24-9-7-23(8-10-24)30(36)33(25-6-4-5-13-31-29(25)35)18-22-16-26(37-2)28(27(17-22)38-3)39-14-11-21-12-15-40-19-21/h7-10,12,15-17,19,25H,4-6,11,13-14,18H2,1-3H3,(H,31,35)(H,32,34)/t25-/m0/s1