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

Systemtic Name: 1-[[2-(2-chlorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-ethyl-butan-2-amine Openeye Name: 1-[[2-(2-chlorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-ethyl-butan-2-amine CAS Name: 1-[[2-(2-chlorophenyl)-3H-1,5-benzodiazepin-4-yl]thio]-N-ethyl-2-butanamine IUPAC Name: 1-[[2-(2-chlorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-ethylbutan-2-amine Traditional Name: 1-[[[2-(2-chlorophenyl)-3H-1,5-benzodiazepin-4-yl]thio]methyl]propyl-ethyl-amine Formula: C21H24ClN3S MolecularWeight: 385.95336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC1=NC2=CC=CC=C2N=C(C1)C3=CC=CC=C3Cl)NCC

Isomeric SMILES

CCC(CSC1=NC2=CC=CC=C2N=C(C1)C3=CC=CC=C3Cl)NCC

InChI

InChI=1S/C21H24ClN3S/c1-3-15(23-4-2)14-26-21-13-20(16-9-5-6-10-17(16)22)24-18-11-7-8-12-19(18)25-21/h5-12,15,23H,3-4,13-14H2,1-2H3