7-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[(6-ethyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C21H17N4O2S2- MolecularWeight: 421.51528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=NC(=S)N(C(=C4C=C3)[O-])CC=C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=NC(=S)N(C(=C4C=C3)[O-])CC=C

InChI

InChI=1S/C21H18N4O2S2/c1-3-9-25-19(27)14-7-6-13(11-16(14)23-21(25)28)18(26)24-20-22-15-8-5-12(4-2)10-17(15)29-20/h3,5-8,10-11,27H,1,4,9H2,2H3,(H,22,24,26)/p-1