5-(cyclohexylmethylsulfanyl)-7-methyl-1-phenyl-2-phenylazanyl-1,8-naphthyridin-4-one

Systemtic Name: 5-(cyclohexylmethylsulfanyl)-7-methyl-1-phenyl-2-phenylazanyl-1,8-naphthyridin-4-one Openeye Name: 2-anilino-5-(cyclohexylmethylsulfanyl)-7-methyl-1-phenyl-1,8-naphthyridin-4-one CAS Name: 2-anilino-5-(cyclohexylmethylthio)-7-methyl-1-phenyl-1,8-naphthyridin-4-one IUPAC Name: 2-anilino-5-(cyclohexylmethylsulfanyl)-7-methyl-1-phenyl-1,8-naphthyridin-4-one Traditional Name: 2-anilino-5-(cyclohexylmethylthio)-7-methyl-1-phenyl-1,8-naphthyridin-4-one Formula: C28H29N3OS MolecularWeight: 455.61436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)SCC3CCCCC3)C(=O)C=C(N2C4=CC=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C(=C1)SCC3CCCCC3)C(=O)C=C(N2C4=CC=CC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C28H29N3OS/c1-20-17-25(33-19-21-11-5-2-6-12-21)27-24(32)18-26(30-22-13-7-3-8-14-22)31(28(27)29-20)23-15-9-4-10-16-23/h3-4,7-10,13-18,21,30H,2,5-6,11-12,19H2,1H3