3-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-benzodioxol-5-yl)propanamide

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-benzodioxol-5-yl)propanamide Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: 3-(1H-benzimidazol-2-ylthio)-N-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-benzodioxol-5-yl)propanamide Traditional Name: 3-(1H-benzimidazol-2-ylthio)-N-(1,3-benzodioxol-5-yl)propionamide Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H15N3O3S/c21-16(18-11-5-6-14-15(9-11)23-10-22-14)7-8-24-17-19-12-3-1-2-4-13(12)20-17/h1-6,9H,7-8,10H2,(H,18,21)(H,19,20)