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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3-morpholinopropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-[3-(4-morpholinyl)propyl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[[4-keto-3-(3-morpholinopropyl)quinazolin-2-yl]thio]-N-piperonyl-propionamide Formula: C26H30N4O5S MolecularWeight: 510.6052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5

InChI

InChI=1S/C26H30N4O5S/c1-18(24(31)27-16-19-7-8-22-23(15-19)35-17-34-22)36-26-28-21-6-3-2-5-20(21)25(32)30(26)10-4-9-29-11-13-33-14-12-29/h2-3,5-8,15,18H,4,9-14,16-17H2,1H3,(H,27,31)