6-[[7-chloranyl-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethyl-hexan-1-amine

Systemtic Name: 6-[[7-chloranyl-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethyl-hexan-1-amine Openeye Name: 6-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethyl-hexan-1-amine CAS Name: 6-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]thio]-N,N-dimethyl-1-hexanamine IUPAC Name: 6-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethylhexan-1-amine Traditional Name: 6-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]thio]hexyl-dimethyl-amine Formula: C23H27Cl2N3S MolecularWeight: 448.45158

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCCCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3Cl

Isomeric SMILES

CN(C)CCCCCCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H27Cl2N3S/c1-28(2)13-7-3-4-8-14-29-22-16-26-23(18-9-5-6-10-20(18)25)19-15-17(24)11-12-21(19)27-22/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3