3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-N-propan-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-N-propan-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-isopropyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-N-propan-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-N-propan-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-isopropyl-4-keto-3-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O4S/c1-11(2)21-18(24)13-4-5-14-15(8-13)22-20(28)23(19(14)25)9-12-3-6-16-17(7-12)27-10-26-16/h3-8,11H,9-10H2,1-2H3,(H,21,24)(H,22,28)