N-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethoxyphenyl)amino]quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethoxyphenyl)amino]quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(3,5-dimethoxyanilino)-2-quinazolinyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(3,5-dimethoxyanilino)quinazolin-2-yl]thio]butyramide Formula: C27H26N4O5S MolecularWeight: 518.58414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NC5=CC(=CC(=C5)OC)OC

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NC5=CC(=CC(=C5)OC)OC

InChI

InChI=1S/C27H26N4O5S/c1-4-24(26(32)29-16-9-10-22-23(13-16)36-15-35-22)37-27-30-21-8-6-5-7-20(21)25(31-27)28-17-11-18(33-2)14-19(12-17)34-3/h5-14,24H,4,15H2,1-3H3,(H,29,32)(H,28,30,31)