N,N-diethyl-2-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]propan-1-amine

Systemtic Name: N,N-diethyl-2-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]propan-1-amine Openeye Name: N,N-diethyl-2-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]propan-1-amine CAS Name: N,N-diethyl-2-[[2-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-4-yl]thio]-1-propanamine IUPAC Name: N,N-diethyl-2-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]propan-1-amine Traditional Name: diethyl-[2-[[2-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-4-yl]thio]propyl]amine Formula: C28H31N3S2 MolecularWeight: 473.69584

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(C)SC1=NC2=CC=CC=C2N=C(C1)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CCN(CC)CC(C)SC1=NC2=CC=CC=C2N=C(C1)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C28H31N3S2/c1-4-31(5-2)20-21(3)32-28-19-27(29-25-13-9-10-14-26(25)30-28)22-15-17-24(18-16-22)33-23-11-7-6-8-12-23/h6-18,21H,4-5,19-20H2,1-3H3