1-methyl-4-(3-propylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine

Systemtic Name: 1-methyl-4-(3-propylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Openeye Name: 1-methyl-4-(3-propylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine CAS Name: 1-methyl-4-[3-(propylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine IUPAC Name: 1-methyl-4-(3-propylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Traditional Name: 1-methyl-4-[3-(propylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine Formula: C22H28N2S2 MolecularWeight: 384.60112

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C

Isomeric SMILES

CCCSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C

InChI

InChI=1S/C22H28N2S2/c1-3-14-25-18-8-9-22-19(16-18)20(24-12-10-23(2)11-13-24)15-17-6-4-5-7-21(17)26-22/h4-9,16,20H,3,10-15H2,1-2H3