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

Systemtic Name: N-ethyl-1-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]pentan-3-amine Openeye Name: N-ethyl-1-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]pentan-3-amine CAS Name: N-ethyl-1-[[2-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-4-yl]thio]-3-pentanamine IUPAC Name: N-ethyl-1-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]pentan-3-amine Traditional Name: ethyl-[1-ethyl-3-[[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:

CCC(CCSC1=NC2=CC=CC=C2N=C(C1)C3=CC=C(C=C3)SC4=CC=CC=C4)NCC

Isomeric SMILES

CCC(CCSC1=NC2=CC=CC=C2N=C(C1)C3=CC=C(C=C3)SC4=CC=CC=C4)NCC

InChI

InChI=1S/C28H31N3S2/c1-3-22(29-4-2)18-19-32-28-20-27(30-25-12-8-9-13-26(25)31-28)21-14-16-24(17-15-21)33-23-10-6-5-7-11-23/h5-17,22,29H,3-4,18-20H2,1-2H3