7-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[[4-(3,4-dimethylphenyl)thiazol-2-yl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[[4-(3,4-dimethylphenyl)-2-thiazolyl]amino]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[[4-(3,4-dimethylphenyl)thiazol-2-yl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C23H19N4O2S2- MolecularWeight: 447.55256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=NC(=S)N(C(=C4C=C3)[O-])CC=C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=NC(=S)N(C(=C4C=C3)[O-])CC=C)C

InChI

InChI=1S/C23H20N4O2S2/c1-4-9-27-21(29)17-8-7-16(11-18(17)25-23(27)30)20(28)26-22-24-19(12-31-22)15-6-5-13(2)14(3)10-15/h4-8,10-12,29H,1,9H2,2-3H3,(H,24,26,28)/p-1