N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[[(6-phenyl-3-pyridazinyl)thio]methyl]benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide Traditional Name: N-homoveratryl-N-methyl-3-[[(6-phenylpyridazin-3-yl)thio]methyl]benzamide Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H29N3O3S/c1-32(17-16-21-12-14-26(34-2)27(19-21)35-3)29(33)24-11-7-8-22(18-24)20-36-28-15-13-25(30-31-28)23-9-5-4-6-10-23/h4-15,18-19H,16-17,20H2,1-3H3