N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-bromophenyl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-bromophenyl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-bromophenyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-bromophenyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-bromophenyl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-piperonyl-nicotinamide Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N=CC=C3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N=CC=C3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H17BrN2O3S/c22-16-4-1-3-15(9-16)12-28-21-17(5-2-8-23-21)20(25)24-11-14-6-7-18-19(10-14)27-13-26-18/h1-10H,11-13H2,(H,24,25)