1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(propan-2-ylcarbamothioylamino)thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(propan-2-ylcarbamothioylamino)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(isopropylcarbamothioylamino)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(propan-2-ylcarbamothioylamino)thiourea Traditional Name: 1-isopropyl-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylamino]thiourea Formula: C16H22N6OS2 MolecularWeight: 378.51548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=S)NC(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=S)NC(C)C

InChI

InChI=1S/C16H22N6OS2/c1-10(2)17-15(24)19-20-16(25)18-13-11(3)21(4)22(14(13)23)12-8-6-5-7-9-12/h5-10H,1-4H3,(H2,17,19,24)(H2,18,20,25)