N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-pentyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-N-homoveratryl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)NC1=S

InChI

InChI=1S/C24H29N3O4S/c1-4-5-6-13-27-23(29)18-9-8-17(15-19(18)26-24(27)32)22(28)25-12-11-16-7-10-20(30-2)21(14-16)31-3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,25,28)(H,26,32)