N-(1,3-benzodioxol-5-yl)-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(6-chloro-1H-benzimidazol-2-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(6-chloro-1H-benzimidazol-2-yl)thio]propionamide Formula: C17H14ClN3O3S MolecularWeight: 375.82936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C17H14ClN3O3S/c1-9(25-17-20-12-4-2-10(18)6-13(12)21-17)16(22)19-11-3-5-14-15(7-11)24-8-23-14/h2-7,9H,8H2,1H3,(H,19,22)(H,20,21)