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

Systemtic Name: 4-oxidanylidene-N-(4-phenylazanylphenyl)-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(4-anilinophenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-anilinophenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-anilinophenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(4-anilinophenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H20N4O2S MolecularWeight: 428.5062

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4)NC1=S

InChI

InChI=1S/C24H20N4O2S/c1-2-14-28-23(30)20-13-8-16(15-21(20)27-24(28)31)22(29)26-19-11-9-18(10-12-19)25-17-6-4-3-5-7-17/h2-13,15,25H,1,14H2,(H,26,29)(H,27,31)