1-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-3-(3-ethanoylphenyl)thiourea

Systemtic Name: 1-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-3-(3-ethanoylphenyl)thiourea Openeye Name: 1-(3-acetylphenyl)-3-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]thiourea CAS Name: 1-(3-acetylphenyl)-3-[3-(4-bromo-3-methyl-1-pyrazolyl)propyl]thiourea IUPAC Name: 1-(3-acetylphenyl)-3-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]thiourea Traditional Name: 1-(3-acetylphenyl)-3-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]thiourea Formula: C16H19BrN4OS MolecularWeight: 395.31726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CCCNC(=S)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC1=NN(C=C1Br)CCCNC(=S)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C16H19BrN4OS/c1-11-15(17)10-21(20-11)8-4-7-18-16(23)19-14-6-3-5-13(9-14)12(2)22/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,18,19,23)