N'-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine

Systemtic Name: N'-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine Openeye Name: N'-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine CAS Name: N'-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]ethane-1,2-diamine IUPAC Name: N'-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine Traditional Name: 2-aminoethyl-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]amine Formula: C17H20N2S2 MolecularWeight: 316.4841

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2NCCN

Isomeric SMILES

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2NCCN

InChI

InChI=1S/C17H20N2S2/c1-20-13-6-7-17-14(11-13)15(19-9-8-18)10-12-4-2-3-5-16(12)21-17/h2-7,11,15,19H,8-10,18H2,1H3