1-[4-(2-chloranyl-6-methyl-phenyl)sulfanylbutyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine

Systemtic Name: 1-[4-(2-chloranyl-6-methyl-phenyl)sulfanylbutyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine Openeye Name: 1-[4-(2-chloro-6-methyl-phenyl)sulfanylbutyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine CAS Name: 1-[4-[(2-chloro-6-methylphenyl)thio]butyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine IUPAC Name: 1-[4-(2-chloro-6-methylphenyl)sulfanylbutyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine Traditional Name: 1-[4-[(2-chloro-6-methyl-phenyl)thio]butyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine Formula: C23H29ClN2O2S MolecularWeight: 433.00656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)SCCCCN2CCN(CC2)C3=C4C(=CC=C3)OCCO4

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)SCCCCN2CCN(CC2)C3=C4C(=CC=C3)OCCO4

InChI

InChI=1S/C23H29ClN2O2S/c1-18-6-4-7-19(24)23(18)29-17-3-2-10-25-11-13-26(14-12-25)20-8-5-9-21-22(20)28-16-15-27-21/h4-9H,2-3,10-17H2,1H3