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

Systemtic Name: 7-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[[4-(p-tolyl)thiazol-2-yl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[[4-(4-methylphenyl)-2-thiazolyl]amino]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[[4-(p-tolyl)thiazol-2-yl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C22H17N4O2S2- MolecularWeight: 433.52598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O2S2/c1-3-10-26-20(28)16-9-8-15(11-17(16)24-22(26)29)19(27)25-21-23-18(12-30-21)14-6-4-13(2)5-7-14/h3-9,11-12,28H,1,10H2,2H3,(H,23,25,27)/p-1