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

Systemtic Name: 2-[[7-chloranyl-5-(2-methoxyphenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethyl-ethanamine Openeye Name: 2-[[7-chloro-5-(2-methoxyphenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethyl-ethanamine CAS Name: 2-[[7-chloro-5-(2-methoxyphenyl)-3H-1,4-benzodiazepin-2-yl]thio]-N,N-dimethylethanamine IUPAC Name: 2-[[7-chloro-5-(2-methoxyphenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethylethanamine Traditional Name: 2-[[7-chloro-5-(2-methoxyphenyl)-3H-1,4-benzodiazepin-2-yl]thio]ethyl-dimethyl-amine Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3OC

Isomeric SMILES

CN(C)CCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3OC

InChI

InChI=1S/C20H22ClN3OS/c1-24(2)10-11-26-19-13-22-20(15-6-4-5-7-18(15)25-3)16-12-14(21)8-9-17(16)23-19/h4-9,12H,10-11,13H2,1-3H3