2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]-N-(4-ethylphenyl)butanamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide Traditional Name: N-(4-ethylphenyl)-2-[(4-keto-6-morpholino-3-piperonyl-quinazolin-2-yl)thio]butyramide Formula: C32H34N4O5S MolecularWeight: 586.70116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C32H34N4O5S/c1-3-21-5-8-23(9-6-21)33-30(37)29(4-2)42-32-34-26-11-10-24(35-13-15-39-16-14-35)18-25(26)31(38)36(32)19-22-7-12-27-28(17-22)41-20-40-27/h5-12,17-18,29H,3-4,13-16,19-20H2,1-2H3,(H,33,37)