2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-ethyl-N-(m-tolyl)acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-quinazolinyl]thio]-N-ethyl-N-(3-methylphenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-(3-methylphenyl)acetamide Traditional Name: N-ethyl-2-[(4-keto-3-piperonyl-quinazolin-2-yl)thio]-N-(m-tolyl)acetamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H25N3O4S/c1-3-29(20-8-6-7-18(2)13-20)25(31)16-35-27-28-22-10-5-4-9-21(22)26(32)30(27)15-19-11-12-23-24(14-19)34-17-33-23/h4-14H,3,15-17H2,1-2H3