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

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

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C)C

InChI

InChI=1S/C21H18N4O2S2/c1-4-7-25-19(27)14-6-5-13(10-15(14)22-21(25)28)18(26)24-20-23-17-12(3)8-11(2)9-16(17)29-20/h4-6,8-10H,1,7H2,2-3H3,(H,22,28)(H,23,24,26)