N-[(8-chloranylbenzo[b][1,4]benzothiazepin-6-yl)methyl]-N',N'-dimethyl-ethane-1,2-diamine

Systemtic Name: N-[(8-chloranylbenzo[b][1,4]benzothiazepin-6-yl)methyl]-N',N'-dimethyl-ethane-1,2-diamine Openeye Name: N-[(8-chlorobenzo[b][1,4]benzothiazepin-6-yl)methyl]-N',N'-dimethyl-ethane-1,2-diamine CAS Name: N-[(8-chloro-6-benzo[b][1,4]benzothiazepinyl)methyl]-N',N'-dimethylethane-1,2-diamine IUPAC Name: N-[(8-chlorobenzo[b][1,4]benzothiazepin-6-yl)methyl]-N',N'-dimethylethane-1,2-diamine Traditional Name: 2-[(8-chlorobenzo[b][1,4]benzothiazepin-6-yl)methylamino]ethyl-dimethyl-amine Formula: C18H20ClN3S MolecularWeight: 345.8895

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNCC1=NC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CN(C)CCNCC1=NC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3S/c1-22(2)10-9-20-12-16-14-11-13(19)7-8-17(14)23-18-6-4-3-5-15(18)21-16/h3-8,11,20H,9-10,12H2,1-2H3