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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-N-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-allyl-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-N-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-N-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-allyl-4-keto-3-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S/c1-2-7-21-18(24)13-4-5-14-15(9-13)22-20(28)23(19(14)25)10-12-3-6-16-17(8-12)27-11-26-16/h2-6,8-9H,1,7,10-11H2,(H,21,24)(H,22,28)