N-(6-ethyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)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/h3,5-8,10-11H,1,4,9H2,2H3,(H,23,28)(H,22,24,26)