1-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea

Systemtic Name: 1-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Openeye Name: 1-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea CAS Name: 1-[3-(4-bromo-3-methyl-1-pyrazolyl)propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea IUPAC Name: 1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Traditional Name: 1-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Formula: C16H19BrN4O2S MolecularWeight: 411.31666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CCCNC(=S)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=NN(C=C1Br)CCCNC(=S)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H19BrN4O2S/c1-11-13(17)10-21(20-11)6-2-5-18-16(24)19-12-3-4-14-15(9-12)23-8-7-22-14/h3-4,9-10H,2,5-8H2,1H3,(H2,18,19,24)