3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(1-phenyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-piperonyl-thiourea Formula: C20H20N4O2S MolecularWeight: 380.4634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O2S/c1-23(12-16-11-22-24(13-16)17-5-3-2-4-6-17)20(27)21-10-15-7-8-18-19(9-15)26-14-25-18/h2-9,11,13H,10,12,14H2,1H3,(H,21,27)