1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea Traditional Name: 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-piperonyl-thiourea Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C16H19N5O3S/c1-10-5-11(2)21(20-10)8-15(22)18-19-16(25)17-7-12-3-4-13-14(6-12)24-9-23-13/h3-6H,7-9H2,1-2H3,(H,18,22)(H2,17,19,25)