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

Systemtic Name: 1-[[2-(4-chlorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-ethyl-pentan-3-amine Openeye Name: 1-[[2-(4-chlorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-ethyl-pentan-3-amine CAS Name: 1-[[2-(4-chlorophenyl)-3H-1,5-benzodiazepin-4-yl]thio]-N-ethyl-3-pentanamine IUPAC Name: 1-[[2-(4-chlorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-ethylpentan-3-amine Traditional Name: [3-[[2-(4-chlorophenyl)-3H-1,5-benzodiazepin-4-yl]thio]-1-ethyl-propyl]-ethyl-amine Formula: C22H26ClN3S MolecularWeight: 399.97994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCSC1=NC2=CC=CC=C2N=C(C1)C3=CC=C(C=C3)Cl)NCC

Isomeric SMILES

CCC(CCSC1=NC2=CC=CC=C2N=C(C1)C3=CC=C(C=C3)Cl)NCC

InChI

InChI=1S/C22H26ClN3S/c1-3-18(24-4-2)13-14-27-22-15-21(16-9-11-17(23)12-10-16)25-19-7-5-6-8-20(19)26-22/h5-12,18,24H,3-4,13-15H2,1-2H3