3-(3-methoxypropyl)-N-(5-methylhexan-2-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxypropyl)-N-(5-methylhexan-2-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(1,4-dimethylpentyl)-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-N-(5-methylhexan-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-N-(5-methylhexan-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(1,4-dimethylpentyl)-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3S/c1-13(2)6-7-14(3)21-18(24)15-8-9-16-17(12-15)22-20(27)23(19(16)25)10-5-11-26-4/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,21,24)(H,22,27)