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

Systemtic Name: N-heptan-2-yl-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-N-(1-methylhexyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-heptan-2-yl-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-heptan-2-yl-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(3-methoxypropyl)-N-(1-methylhexyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCOC

Isomeric SMILES

CCCCCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCOC

InChI

InChI=1S/C20H29N3O3S/c1-4-5-6-8-14(2)21-18(24)15-9-10-16-17(13-15)22-20(27)23(19(16)25)11-7-12-26-3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,21,24)(H,22,27)