2-[[7-chloranyl-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-diethyl-ethanamine

Systemtic Name: 2-[[7-chloranyl-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-diethyl-ethanamine Openeye Name: 2-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-diethyl-ethanamine CAS Name: 2-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]thio]-N,N-diethylethanamine IUPAC Name: 2-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-diethylethanamine Traditional Name: 2-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]thio]ethyl-diethyl-amine Formula: C21H23Cl2N3S MolecularWeight: 420.39842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3Cl

Isomeric SMILES

CCN(CC)CCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H23Cl2N3S/c1-3-26(4-2)11-12-27-20-14-24-21(16-7-5-6-8-18(16)23)17-13-15(22)9-10-19(17)25-20/h5-10,13H,3-4,11-12,14H2,1-2H3