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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-[(4-chlorophenyl)methylamino]-2-quinazolinyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-[(4-chlorobenzyl)amino]quinazolin-2-yl]thio]butyramide Formula: C26H23ClN4O3S MolecularWeight: 507.00382

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN4O3S/c1-2-23(25(32)29-18-11-12-21-22(13-18)34-15-33-21)35-26-30-20-6-4-3-5-19(20)24(31-26)28-14-16-7-9-17(27)10-8-16/h3-13,23H,2,14-15H2,1H3,(H,29,32)(H,28,30,31)