3-methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butan-2-yl]benzamide

Systemtic Name: 3-methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butan-2-yl]benzamide Openeye Name: 3-methyl-N-[3-methylsulfanyl-1-[4-(3-pyridylmethyl)piperazine-1-carbonyl]propyl]benzamide CAS Name: 3-methyl-N-[4-(methylthio)-1-oxo-1-[4-(3-pyridinylmethyl)-1-piperazinyl]butan-2-yl]benzamide IUPAC Name: 3-methyl-N-[4-methylsulfanyl-1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butan-2-yl]benzamide Traditional Name: 3-methyl-N-[3-(methylthio)-1-[4-(3-pyridylmethyl)piperazine-1-carbonyl]propyl]benzamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)N2CCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)N2CCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C23H30N4O2S/c1-18-5-3-7-20(15-18)22(28)25-21(8-14-30-2)23(29)27-12-10-26(11-13-27)17-19-6-4-9-24-16-19/h3-7,9,15-16,21H,8,10-14,17H2,1-2H3,(H,25,28)