(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) carbamimidothioate

Systemtic Name: (3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) carbamimidothioate Openeye Name: 2-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)isothiourea CAS Name: carbamimidothioic acid (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) ester IUPAC Name: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) carbamimidothioate Traditional Name: 2-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)isothiourea Formula: C15H13ClN2S2 MolecularWeight: 320.86012

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C31)SC(=N)N

Isomeric SMILES

C1C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C31)SC(=N)N

InChI

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