2-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N-(2-diethylaminoethyl)ethanamide

Systemtic Name: 2-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N-(2-diethylaminoethyl)ethanamide Openeye Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N-(2-diethylaminoethyl)acetamide CAS Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)thio]-N-(2-diethylaminoethyl)acetamide IUPAC Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N-(2-diethylaminoethyl)acetamide Traditional Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)thio]-N-(2-diethylaminoethyl)acetamide Formula: C22H27ClN2OS2 MolecularWeight: 435.04558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)CSC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

Isomeric SMILES

CCN(CC)CCNC(=O)CSC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

InChI

InChI=1S/C22H27ClN2OS2/c1-3-25(4-2)12-11-24-22(26)15-27-21-14-16-13-17(23)9-10-19(16)28-20-8-6-5-7-18(20)21/h5-10,13,21H,3-4,11-12,14-15H2,1-2H3,(H,24,26)