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

Systemtic Name: N-(1,2-diphenylethyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(1,2-diphenylethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(1,2-diphenylethyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(1,2-diphenylethyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(1,2-diphenylethyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4)NC1=S

InChI

InChI=1S/C26H23N3O2S/c1-2-15-29-25(31)21-14-13-20(17-23(21)28-26(29)32)24(30)27-22(19-11-7-4-8-12-19)16-18-9-5-3-6-10-18/h2-14,17,22H,1,15-16H2,(H,27,30)(H,28,32)