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

Systemtic Name: N-[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1R)-1-[(3,4-dimethoxyphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-3-methyl-benzamide CAS Name: N-[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: 3-methyl-N-[(1R)-3-(methylthio)-1-(veratrylcarbamoyl)propyl]benzamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCSC)C(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H28N2O4S/c1-15-6-5-7-17(12-15)21(25)24-18(10-11-29-4)22(26)23-14-16-8-9-19(27-2)20(13-16)28-3/h5-9,12-13,18H,10-11,14H2,1-4H3,(H,23,26)(H,24,25)/t18-/m1/s1