3-(3,4-dimethylphenyl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(3,4-dimethylphenyl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[(3,4-dimethylphenyl)thio]-1-[4-(2-methoxyphenyl)piperazino]propan-1-one Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)N2CCN(CC2)C3=CC=CC=C3OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)N2CCN(CC2)C3=CC=CC=C3OC)C

InChI

InChI=1S/C22H28N2O2S/c1-17-8-9-19(16-18(17)2)27-15-10-22(25)24-13-11-23(12-14-24)20-6-4-5-7-21(20)26-3/h4-9,16H,10-15H2,1-3H3