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

Systemtic Name: 2-chloranyl-N-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[3-methylsulfanyl-1-[4-(m-tolylmethyl)piperazine-1-carbonyl]propyl]benzamide CAS Name: 2-chloro-N-[1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[1-[4-(3-methylbenzyl)piperazine-1-carbonyl]-3-(methylthio)propyl]benzamide Formula: C24H30ClN3O2S MolecularWeight: 460.0319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C24H30ClN3O2S/c1-18-6-5-7-19(16-18)17-27-11-13-28(14-12-27)24(30)22(10-15-31-2)26-23(29)20-8-3-4-9-21(20)25/h3-9,16,22H,10-15,17H2,1-2H3,(H,26,29)