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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(benzylamino)quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-[(phenylmethyl)amino]-2-quinazolinyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(benzylamino)quinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-(benzylamino)quinazolin-2-yl]thio]butyramide Formula: C26H24N4O3S MolecularWeight: 472.55876

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O3S/c1-2-23(25(31)28-18-12-13-21-22(14-18)33-16-32-21)34-26-29-20-11-7-6-10-19(20)24(30-26)27-15-17-8-4-3-5-9-17/h3-14,23H,2,15-16H2,1H3,(H,28,31)(H,27,29,30)