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

Systemtic Name: N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[1-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-3-methylsulfanyl-propyl]-2-methoxy-benzamide CAS Name: N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(methylthio)-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[1-(homoveratrylcarbamoyl)-3-(methylthio)propyl]-2-methoxy-benzamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S/c1-28-19-8-6-5-7-17(19)22(26)25-18(12-14-31-4)23(27)24-13-11-16-9-10-20(29-2)21(15-16)30-3/h5-10,15,18H,11-14H2,1-4H3,(H,24,27)(H,25,26)