1-[2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-allyl-4-oxo-2-(p-tolylmethylsulfanyl)quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[(4-methylphenyl)methylthio]-4-oxo-3-prop-2-enyl-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-methylphenyl)methylsulfanyl]-4-oxo-3-prop-2-enylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-allyl-4-keto-2-[(4-methylbenzyl)thio]quinazoline-7-carbonyl]isonipecotamide Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2CC=C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2CC=C

InChI

InChI=1S/C26H28N4O3S/c1-3-12-30-25(33)21-9-8-20(24(32)29-13-10-19(11-14-29)23(27)31)15-22(21)28-26(30)34-16-18-6-4-17(2)5-7-18/h3-9,15,19H,1,10-14,16H2,2H3,(H2,27,31)