N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[2-(tert-butylamino)-2-oxo-ethyl]-N-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[2-(tert-butylamino)-2-keto-ethyl]-4-keto-N-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3S/c1-6-9-23-17(26)13-8-7-12(10-14(13)20-18(23)27)16(25)22(5)11-15(24)21-19(2,3)4/h6-8,10H,1,9,11H2,2-5H3,(H,20,27)(H,21,24)