N,N-diethyl-2-[[2-phenyl-1-(phenylmethyl)-1,5-benzodiazepin-4-yl]sulfanyl]ethanamine

Systemtic Name: N,N-diethyl-2-[[2-phenyl-1-(phenylmethyl)-1,5-benzodiazepin-4-yl]sulfanyl]ethanamine Openeye Name: 2-[(1-benzyl-2-phenyl-1,5-benzodiazepin-4-yl)sulfanyl]-N,N-diethyl-ethanamine CAS Name: N,N-diethyl-2-[[2-phenyl-1-(phenylmethyl)-1,5-benzodiazepin-4-yl]thio]ethanamine IUPAC Name: 2-[(1-benzyl-2-phenyl-1,5-benzodiazepin-4-yl)sulfanyl]-N,N-diethylethanamine Traditional Name: 2-[(1-benzyl-2-phenyl-1,5-benzodiazepin-4-yl)thio]ethyl-diethyl-amine Formula: C28H31N3S MolecularWeight: 441.63084

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC2=CC=CC=C2N(C(=C1)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)CCSC1=NC2=CC=CC=C2N(C(=C1)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H31N3S/c1-3-30(4-2)19-20-32-28-21-27(24-15-9-6-10-16-24)31(22-23-13-7-5-8-14-23)26-18-12-11-17-25(26)29-28/h5-18,21H,3-4,19-20,22H2,1-2H3