N-(1,3-benzodioxol-5-ylmethyl)-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]propanamide Traditional Name: 3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]-N-piperonyl-propionamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCSCC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCSCC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C25H24N4O3S/c30-24(26-15-19-8-9-22-23(14-19)32-18-31-22)10-13-33-17-20-16-27-29(21-6-2-1-3-7-21)25(20)28-11-4-5-12-28/h1-9,11-12,14,16H,10,13,15,17-18H2,(H,26,30)