N-(1,3-benzodioxol-5-ylmethyl)-2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-benzyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-piperonyl-propionamide Formula: C26H22ClN3O4S MolecularWeight: 507.98858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C26H22ClN3O4S/c1-16(24(31)28-13-18-7-10-22-23(11-18)34-15-33-22)35-26-29-21-12-19(27)8-9-20(21)25(32)30(26)14-17-5-3-2-4-6-17/h2-12,16H,13-15H2,1H3,(H,28,31)