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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N,N-diethyl-4-keto-3-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-3-23(4-2)19(25)14-6-7-15-16(10-14)22-21(29)24(20(15)26)11-13-5-8-17-18(9-13)28-12-27-17/h5-10H,3-4,11-12H2,1-2H3,(H,22,29)