N-(6-methylheptan-2-yl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(6-methylheptan-2-yl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(1,5-dimethylhexyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(6-methylheptan-2-yl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(6-methylheptan-2-yl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(1,5-dimethylhexyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2S/c1-5-11-23-19(25)16-10-9-15(12-17(16)22-20(23)26)18(24)21-14(4)8-6-7-13(2)3/h5,9-10,12-14H,1,6-8,11H2,2-4H3,(H,21,24)(H,22,26)