N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]-N-piperonyl-propionamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H25N3O4S/c1-17-7-9-19(10-8-17)15-30-26(32)21-5-3-4-6-22(21)29-27(30)35-18(2)25(31)28-14-20-11-12-23-24(13-20)34-16-33-23/h3-13,18H,14-16H2,1-2H3,(H,28,31)