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

Systemtic Name: 2-ethyl-2-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]butan-1-amine Openeye Name: 2-ethyl-2-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]butan-1-amine CAS Name: 2-ethyl-2-[[2-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-4-yl]thio]-1-butanamine IUPAC Name: 2-ethyl-2-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]butan-1-amine Traditional Name: [2-ethyl-2-[[2-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-4-yl]thio]butyl]amine Formula: C27H29N3S2 MolecularWeight: 459.66926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3S2/c1-3-27(4-2,19-28)32-26-18-25(29-23-12-8-9-13-24(23)30-26)20-14-16-22(17-15-20)31-21-10-6-5-7-11-21/h5-17H,3-4,18-19,28H2,1-2H3