(2-chloranyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl) carbamimidothioate

Systemtic Name: (2-chloranyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl) carbamimidothioate Openeye Name: 2-(2-chloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)isothiourea CAS Name: carbamimidothioic acid (2-chloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl) ester IUPAC Name: (2-chloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl) carbamimidothioate Traditional Name: 2-(2-chloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)isothiourea Formula: C15H13ClN2S2 MolecularWeight: 320.86012

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(S1)C=CC(=C3)Cl)SC(=N)N

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(S1)C=CC(=C3)Cl)SC(=N)N

InChI

InChI=1S/C15H13ClN2S2/c16-10-5-6-13-12(7-10)14(20-15(17)18)11-4-2-1-3-9(11)8-19-13/h1-7,14H,8H2,(H3,17,18)