3-bromanyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-prop-2-enyl-benzamide

Systemtic Name: 3-bromanyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-3-bromo-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)amino]-2-oxo-ethyl]benzamide CAS Name: 3-bromo-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylbenzamide IUPAC Name: 3-bromo-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylbenzamide Traditional Name: N-allyl-3-bromo-N-[2-[homoveratryl(2-thenyl)amino]-2-keto-ethyl]benzamide Formula: C27H29BrN2O4S MolecularWeight: 557.49916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC=CS2)C(=O)CN(CC=C)C(=O)C3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC=CS2)C(=O)CN(CC=C)C(=O)C3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C27H29BrN2O4S/c1-4-13-30(27(32)21-7-5-8-22(28)17-21)19-26(31)29(18-23-9-6-15-35-23)14-12-20-10-11-24(33-2)25(16-20)34-3/h4-11,15-17H,1,12-14,18-19H2,2-3H3