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

Systemtic Name: 2-[2-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[[3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[[4-keto-3-(m-tolyl)quinazolin-2-yl]thio]acetyl]amino]thiophene-3-carboxamide Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C22H18N4O3S2/c1-13-5-4-6-14(11-13)26-21(29)15-7-2-3-8-17(15)24-22(26)31-12-18(27)25-20-16(19(23)28)9-10-30-20/h2-11H,12H2,1H3,(H2,23,28)(H,25,27)