7-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[[2-(tert-butylamino)-2-oxo-ethyl]-methyl-carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[[2-(tert-butylamino)-2-keto-ethyl]-methyl-carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C19H23N4O3S- MolecularWeight: 387.47592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)C(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC=C

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)C(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])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/h6-8,10,26H,1,9,11H2,2-5H3,(H,21,24)/p-1