ethyl 1-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methylsulfanylcarbothioyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methylsulfanylcarbothioyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methylsulfanylcarbothioyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[[(2-methyl-4-oxo-1H-quinazolin-6-yl)methylthio]-sulfanylidenemethyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methylsulfanylcarbothioyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[(4-keto-2-methyl-1H-quinazolin-6-yl)methylthio]carbothioyl-4-phenyl-isonipecotic acid ethyl ester Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=S)SCC2=CC3=C(C=C2)NC(=NC3=O)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=S)SCC2=CC3=C(C=C2)NC(=NC3=O)C)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S2/c1-3-31-23(30)25(19-7-5-4-6-8-19)11-13-28(14-12-25)24(32)33-16-18-9-10-21-20(15-18)22(29)27-17(2)26-21/h4-10,15H,3,11-14,16H2,1-2H3,(H,26,27,29)