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

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(2,3-dimethylphenyl)piperazino]-2-[(4-nitrophenyl)thio]propan-1-one Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O3S/c1-15-5-4-6-20(16(15)2)22-11-13-23(14-12-22)21(25)17(3)28-19-9-7-18(8-10-19)24(26)27/h4-10,17H,11-14H2,1-3H3