N-(1,3-benzodioxol-5-yl)-2-[4-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-benzyl-4-oxo-6-(1-piperidyl)quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-oxo-3-(phenylmethyl)-6-(1-piperidinyl)-2-quinazolinyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-benzyl-4-oxo-6-piperidin-1-ylquinazolin-2-yl)sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-benzyl-4-keto-6-piperidino-quinazolin-2-yl)thio]butyramide Formula: C31H32N4O4S MolecularWeight: 556.67518

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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)N5CCCCC5)C(=O)N3CC6=CC=CC=C6

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=C(C=C4)N5CCCCC5)C(=O)N3CC6=CC=CC=C6

InChI

InChI=1S/C31H32N4O4S/c1-2-28(29(36)32-22-11-14-26-27(17-22)39-20-38-26)40-31-33-25-13-12-23(34-15-7-4-8-16-34)18-24(25)30(37)35(31)19-21-9-5-3-6-10-21/h3,5-6,9-14,17-18,28H,2,4,7-8,15-16,19-20H2,1H3,(H,32,36)