N-(1,3-benzodioxol-5-yl)-2-(6-morpholin-4-yl-4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(6-morpholin-4-yl-4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(6-morpholino-4-oxo-3-phenethyl-quinazolin-2-yl)sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[6-(4-morpholinyl)-4-oxo-3-phenethyl-2-quinazolinyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(6-morpholin-4-yl-4-oxo-3-phenethylquinazolin-2-yl)sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4-keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]butyramide Formula: C31H32N4O5S MolecularWeight: 572.67458

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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)N3CCC6=CC=CC=C6

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=C(C=C4)N5CCOCC5)C(=O)N3CCC6=CC=CC=C6

InChI

InChI=1S/C31H32N4O5S/c1-2-28(29(36)32-22-8-11-26-27(18-22)40-20-39-26)41-31-33-25-10-9-23(34-14-16-38-17-15-34)19-24(25)30(37)35(31)13-12-21-6-4-3-5-7-21/h3-11,18-19,28H,2,12-17,20H2,1H3,(H,32,36)