N-[(E)-3-(azepan-1-yl)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[(E)-3-(azepan-1-yl)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[(E)-1-(azepane-1-carbonyl)-2-(2-thienyl)vinyl]-3,4-dimethoxy-benzamide CAS Name: N-[(E)-3-(1-azepanyl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[(E)-3-(azepan-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3,4-dimethoxybenzamide Traditional Name: N-[(E)-1-(azepane-1-carbonyl)-2-(2-thienyl)vinyl]-3,4-dimethoxy-benzamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H26N2O4S/c1-27-19-10-9-16(14-20(19)28-2)21(25)23-18(15-17-8-7-13-29-17)22(26)24-11-5-3-4-6-12-24/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,23,25)/b18-15+