N-[(2R)-1-[[4-(cyanomethyl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide

Systemtic Name: N-[(2R)-1-[[4-(cyanomethyl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide Openeye Name: N-[(1R)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-3-methylsulfanyl-propyl]-4-methoxy-benzamide CAS Name: N-[(2R)-1-[4-(cyanomethyl)anilino]-4-(methylthio)-1-oxobutan-2-yl]-4-methoxybenzamide IUPAC Name: N-[(2R)-1-[4-(cyanomethyl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide Traditional Name: N-[(1R)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-3-(methylthio)propyl]-4-methoxy-benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N[C@H](CCSC)C(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C21H23N3O3S/c1-27-18-9-5-16(6-10-18)20(25)24-19(12-14-28-2)21(26)23-17-7-3-15(4-8-17)11-13-22/h3-10,19H,11-12,14H2,1-2H3,(H,23,26)(H,24,25)/t19-/m1/s1