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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-[(4-methoxyphenyl)methylamino]-2-quinazolinyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(p-anisylamino)quinazolin-2-yl]thio]butyramide Formula: C27H26N4O4S MolecularWeight: 502.58474

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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)NCC5=CC=C(C=C5)OC

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NCC5=CC=C(C=C5)OC

InChI

InChI=1S/C27H26N4O4S/c1-3-24(26(32)29-18-10-13-22-23(14-18)35-16-34-22)36-27-30-21-7-5-4-6-20(21)25(31-27)28-15-17-8-11-19(33-2)12-9-17/h4-14,24H,3,15-16H2,1-2H3,(H,29,32)(H,28,30,31)