N-[2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]thiophene-2-carboxamide Openeye Name: N-[4-oxo-2-(p-tolylmethylsulfanyl)quinazolin-3-yl]thiophene-2-carboxamide CAS Name: N-[2-[(4-methylphenyl)methylthio]-4-oxo-3-quinazolinyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]thiophene-2-carboxamide Traditional Name: N-[4-keto-2-[(4-methylbenzyl)thio]quinazolin-3-yl]thiophene-2-carboxamide Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H17N3O2S2/c1-14-8-10-15(11-9-14)13-28-21-22-17-6-3-2-5-16(17)20(26)24(21)23-19(25)18-7-4-12-27-18/h2-12H,13H2,1H3,(H,23,25)