3-(1,3-benzodioxol-5-ylmethyl)-N-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[(2-chlorophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-keto-3-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H18ClN3O4S MolecularWeight: 479.93542

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)NCC5=CC=CC=C5Cl)NC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)NCC5=CC=CC=C5Cl)NC3=S

InChI

InChI=1S/C24H18ClN3O4S/c25-18-4-2-1-3-16(18)11-26-22(29)15-6-7-17-19(10-15)27-24(33)28(23(17)30)12-14-5-8-20-21(9-14)32-13-31-20/h1-10H,11-13H2,(H,26,29)(H,27,33)