N-[1-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[1-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[1-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-3-methylsulfanyl-propyl]-2-methoxy-benzamide CAS Name: N-[1-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[1-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[1-[4-(4-cyanobenzyl)piperazine-1-carbonyl]-3-(methylthio)propyl]-2-methoxy-benzamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H30N4O3S/c1-32-23-6-4-3-5-21(23)24(30)27-22(11-16-33-2)25(31)29-14-12-28(13-15-29)18-20-9-7-19(17-26)8-10-20/h3-10,22H,11-16,18H2,1-2H3,(H,27,30)