N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-piperonyl-propionamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

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