N-[1-[(3,4-dimethoxyphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[1-[(3,4-dimethoxyphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[1-[(3,4-dimethoxyphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-2-methoxy-benzamide CAS Name: N-[1-[(3,4-dimethoxyphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[1-[(3,4-dimethoxyphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: 2-methoxy-N-[3-(methylthio)-1-(veratrylcarbamoyl)propyl]benzamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC)OC

InChI

InChI=1S/C22H28N2O5S/c1-27-18-8-6-5-7-16(18)21(25)24-17(11-12-30-4)22(26)23-14-15-9-10-19(28-2)20(13-15)29-3/h5-10,13,17H,11-12,14H2,1-4H3,(H,23,26)(H,24,25)