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

Systemtic Name: N-(4-bromophenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(4-bromophenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-bromophenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-bromophenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(4-bromophenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H14BrN3O2S MolecularWeight: 416.29166

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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)Br)NC1=S

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3O2S/c1-2-9-22-17(24)14-8-3-11(10-15(14)21-18(22)25)16(23)20-13-6-4-12(19)5-7-13/h2-8,10H,1,9H2,(H,20,23)(H,21,25)