N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[2-(3,4-diethoxyphenyl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)OCC

InChI

InChI=1S/C24H27N3O4S/c1-4-13-27-23(29)18-9-8-17(15-19(18)26-24(27)32)22(28)25-12-11-16-7-10-20(30-5-2)21(14-16)31-6-3/h4,7-10,14-15H,1,5-6,11-13H2,2-3H3,(H,25,28)(H,26,32)