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

Systemtic Name: N-methyl-1-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]propan-2-amine Openeye Name: N-methyl-1-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]propan-2-amine CAS Name: N-methyl-1-[[2-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-4-yl]thio]-2-propanamine IUPAC Name: N-methyl-1-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]propan-2-amine Traditional Name: methyl-[1-methyl-2-[[2-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-4-yl]thio]ethyl]amine Formula: C25H25N3S2 MolecularWeight: 431.6161

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=CC=CC=C2N=C(C1)C3=CC=C(C=C3)SC4=CC=CC=C4)NC

Isomeric SMILES

CC(CSC1=NC2=CC=CC=C2N=C(C1)C3=CC=C(C=C3)SC4=CC=CC=C4)NC

InChI

InChI=1S/C25H25N3S2/c1-18(26-2)17-29-25-16-24(27-22-10-6-7-11-23(22)28-25)19-12-14-21(15-13-19)30-20-8-4-3-5-9-20/h3-15,18,26H,16-17H2,1-2H3