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

Systemtic Name: 4-[[7-chloranyl-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethyl-butan-1-amine Openeye Name: 4-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethyl-butan-1-amine CAS Name: 4-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]thio]-N,N-dimethyl-1-butanamine IUPAC Name: 4-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethylbutan-1-amine Traditional Name: 4-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]thio]butyl-dimethyl-amine Formula: C21H23Cl2N3S MolecularWeight: 420.39842

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3Cl

Isomeric SMILES

CN(C)CCCCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H23Cl2N3S/c1-26(2)11-5-6-12-27-20-14-24-21(16-7-3-4-8-18(16)23)17-13-15(22)9-10-19(17)25-20/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3