1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-methylsulfanylethyl)piperazine

Systemtic Name: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-methylsulfanylethyl)piperazine Openeye Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-methylsulfanylethyl)piperazine CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(methylthio)ethyl]piperazine IUPAC Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-methylsulfanylethyl)piperazine Traditional Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(methylthio)ethyl]piperazine Formula: C21H25ClN2S2 MolecularWeight: 405.0196

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

CSCCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C21H25ClN2S2/c1-25-13-12-23-8-10-24(11-9-23)19-14-16-4-2-3-5-20(16)26-21-7-6-17(22)15-18(19)21/h2-7,15,19H,8-14H2,1H3