7-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]amino]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]carbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C22H15N4O4S2- MolecularWeight: 463.5089

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5)[O-]

Isomeric SMILES

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5)[O-]

InChI

InChI=1S/C22H16N4O4S2/c1-2-7-26-20(28)14-5-3-13(8-15(14)24-22(26)31)19(27)25-21-23-16(10-32-21)12-4-6-17-18(9-12)30-11-29-17/h2-6,8-10,28H,1,7,11H2,(H,23,25,27)/p-1