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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloro-1H-benzimidazol-2-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanamide Traditional Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-piperonyl-propionamide Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C18H16ClN3O3S/c1-10(26-18-21-13-4-3-12(19)7-14(13)22-18)17(23)20-8-11-2-5-15-16(6-11)25-9-24-15/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22)