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

Systemtic Name: N-[3-(azepan-1-yl)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]-4-methoxy-benzamide Openeye Name: N-[1-(azepane-1-carbonyl)-2-(2-thienyl)vinyl]-4-methoxy-benzamide CAS Name: N-[3-(1-azepanyl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methoxybenzamide IUPAC Name: N-[3-(azepan-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methoxybenzamide Traditional Name: N-[1-(azepane-1-carbonyl)-2-(2-thienyl)vinyl]-4-methoxy-benzamide Formula: C21H24N2O3S MolecularWeight: 384.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-26-17-10-8-16(9-11-17)20(24)22-19(15-18-7-6-14-27-18)21(25)23-12-4-2-3-5-13-23/h6-11,14-15H,2-5,12-13H2,1H3,(H,22,24)