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

Systemtic Name: N-(4-tert-butylphenyl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(4-tert-butylphenyl)-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-tert-butylphenyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-tert-butylphenyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-tert-butylphenyl)-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-23(2,3)16-7-9-17(10-8-16)24-20(27)15-6-11-18-19(14-15)25-22(30)26(21(18)28)12-5-13-29-4/h6-11,14H,5,12-13H2,1-4H3,(H,24,27)(H,25,30)