tert-butyl 4-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-allyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(3-allyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C21H26N4O4S/c1-5-8-25-18(27)15-7-6-14(13-16(15)22-19(25)30)17(26)23-9-11-24(12-10-23)20(28)29-21(2,3)4/h5-7,13H,1,8-12H2,2-4H3,(H,22,30)