N-(4-butan-2-ylphenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(4-butan-2-ylphenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-N-(4-sec-butylphenyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-butan-2-ylphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-(4-sec-butylphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C22H23N3O2S/c1-4-12-25-21(27)18-11-8-16(13-19(18)24-22(25)28)20(26)23-17-9-6-15(7-10-17)14(3)5-2/h4,6-11,13-14H,1,5,12H2,2-3H3,(H,23,26)(H,24,28)