N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-[[6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-[[6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-[[4-oxo-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-[[6-[[(4-methylphenyl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)-2-[[6-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[4-keto-6-[(p-tolylthio)methyl]-1H-pyrimidin-2-yl]thio]-N-(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)acetamide Formula: C30H27N5O2S2 MolecularWeight: 553.69768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SCC(=O)NC3=NC4=CC=CC=C4N=C(C3C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SCC(=O)NC3=NC4=CC=CC=C4N=C(C3C5=CC=CC=C5)C

InChI

InChI=1S/C30H27N5O2S2/c1-19-12-14-23(15-13-19)38-17-22-16-26(36)35-30(32-22)39-18-27(37)34-29-28(21-8-4-3-5-9-21)20(2)31-24-10-6-7-11-25(24)33-29/h3-16,28H,17-18H2,1-2H3,(H,32,35,36)(H,33,34,37)