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

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-N-(2-propoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-N-(2-propoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-prop-2-enyl-N-(2-propoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-prop-2-enyl-N-(2-propoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-(2-propoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CCCOC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C21H21N3O3S/c1-3-11-24-20(26)15-10-9-14(13-17(15)23-21(24)28)19(25)22-16-7-5-6-8-18(16)27-12-4-2/h3,5-10,13H,1,4,11-12H2,2H3,(H,22,25)(H,23,28)