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

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-N-(4-propylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-N-(4-propylphenyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-prop-2-enyl-N-(4-propylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-prop-2-enyl-N-(4-propylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-(4-propylphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C21H21N3O2S/c1-3-5-14-6-9-16(10-7-14)22-19(25)15-8-11-17-18(13-15)23-21(27)24(12-4-2)20(17)26/h4,6-11,13H,2-3,5,12H2,1H3,(H,22,25)(H,23,27)