N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-phenyl-2-benzimidazolyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: 2-[(1-phenylbenzimidazol-2-yl)thio]-N-piperonyl-propionamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4N3C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4N3C5=CC=CC=C5

InChI

InChI=1S/C24H21N3O3S/c1-16(23(28)25-14-17-11-12-21-22(13-17)30-15-29-21)31-24-26-19-9-5-6-10-20(19)27(24)18-7-3-2-4-8-18/h2-13,16H,14-15H2,1H3,(H,25,28)