N'-(3-chloranyl-11-oxidanylidene-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)ethane-1,2-diamine

Systemtic Name: N'-(3-chloranyl-11-oxidanylidene-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)ethane-1,2-diamine Openeye Name: N'-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)ethane-1,2-diamine CAS Name: N'-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)ethane-1,2-diamine IUPAC Name: N'-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)ethane-1,2-diamine Traditional Name: 2-aminoethyl-(3-chloro-11-keto-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)amine Formula: C16H17ClN2OS MolecularWeight: 320.83698

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl)NCCN

Isomeric SMILES

C1C(C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl)NCCN

InChI

InChI=1S/C16H17ClN2OS/c17-12-5-6-15-11(9-12)10-14(19-8-7-18)13-3-1-2-4-16(13)21(15)20/h1-6,9,14,19H,7-8,10,18H2