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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholino-4-oxo-quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[(4-methoxyphenyl)methyl]-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4-keto-6-morpholino-3-p-anisyl-quinazolin-2-yl)thio]butyramide Formula: C31H32N4O6S MolecularWeight: 588.67398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=C(C=C4)N5CCOCC5)C(=O)N3CC6=CC=C(C=C6)OC

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=C(C=C4)N5CCOCC5)C(=O)N3CC6=CC=C(C=C6)OC

InChI

InChI=1S/C31H32N4O6S/c1-3-28(29(36)32-21-6-11-26-27(16-21)41-19-40-26)42-31-33-25-10-7-22(34-12-14-39-15-13-34)17-24(25)30(37)35(31)18-20-4-8-23(38-2)9-5-20/h4-11,16-17,28H,3,12-15,18-19H2,1-2H3,(H,32,36)