N-(1,3-benzodioxol-5-ylmethyl)-3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Traditional Name: 3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-piperonyl-benzamide Formula: C23H16ClN3O4S MolecularWeight: 465.90884

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=CC=C3)N4C(=O)C5=C(C=C(C=C5)Cl)NC4=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=CC=C3)N4C(=O)C5=C(C=C(C=C5)Cl)NC4=S

InChI

InChI=1S/C23H16ClN3O4S/c24-15-5-6-17-18(10-15)26-23(32)27(22(17)29)16-3-1-2-14(9-16)21(28)25-11-13-4-7-19-20(8-13)31-12-30-19/h1-10H,11-12H2,(H,25,28)(H,26,32)