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

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-[3-(diethylamino)propyl]thiourea Openeye Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-[3-(diethylamino)propyl]thiourea CAS Name: 1-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-3-[3-(diethylamino)propyl]thiourea IUPAC Name: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[3-(diethylamino)propyl]thiourea Traditional Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-[3-(diethylamino)propyl]thiourea Formula: C16H30BrN5S MolecularWeight: 404.4119

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=S)NCCCN1C(=C(C(=N1)C)Br)C

Isomeric SMILES

CCN(CC)CCCNC(=S)NCCCN1C(=C(C(=N1)C)Br)C

InChI

InChI=1S/C16H30BrN5S/c1-5-21(6-2)11-7-9-18-16(23)19-10-8-12-22-14(4)15(17)13(3)20-22/h5-12H2,1-4H3,(H2,18,19,23)