1-(1,3-benzodioxol-5-yl)-3-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]thiourea Formula: C16H19BrN4O2S MolecularWeight: 411.31666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=S)NC2=CC3=C(C=C2)OCO3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=S)NC2=CC3=C(C=C2)OCO3)C)Br

InChI

InChI=1S/C16H19BrN4O2S/c1-10-15(17)11(2)21(20-10)7-3-6-18-16(24)19-12-4-5-13-14(8-12)23-9-22-13/h4-5,8H,3,6-7,9H2,1-2H3,(H2,18,19,24)