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

Systemtic Name: N-methyl-4-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]butan-2-amine Openeye Name: N-methyl-4-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]butan-2-amine CAS Name: N-methyl-4-[[2-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-4-yl]thio]-2-butanamine IUPAC Name: N-methyl-4-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]butan-2-amine Traditional Name: methyl-[1-methyl-3-[[2-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-4-yl]thio]propyl]amine Formula: C26H27N3S2 MolecularWeight: 445.64268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3S2/c1-19(27-2)16-17-30-26-18-25(28-23-10-6-7-11-24(23)29-26)20-12-14-22(15-13-20)31-21-8-4-3-5-9-21/h3-15,19,27H,16-18H2,1-2H3