3-(3-methoxypropyl)-4-oxidanylidene-N-(4-pentylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxypropyl)-4-oxidanylidene-N-(4-pentylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-4-oxo-N-(4-pentylphenyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-4-oxo-N-(4-pentylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-4-oxo-N-(4-pentylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-amylphenyl)-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCOC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCOC

InChI

InChI=1S/C24H29N3O3S/c1-3-4-5-7-17-8-11-19(12-9-17)25-22(28)18-10-13-20-21(16-18)26-24(31)27(23(20)29)14-6-15-30-2/h8-13,16H,3-7,14-15H2,1-2H3,(H,25,28)(H,26,31)