1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[[(2S)-tetrahydrofuran-2-yl]methylcarbamothioylamino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[[[(2S)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[[(2S)-tetrahydrofuran-2-yl]methylthiocarbamoylamino]thiourea Formula: C18H24N6O2S2 MolecularWeight: 420.55216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=S)NCC3CCCO3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=S)NC[C@@H]3CCCO3

InChI

InChI=1S/C18H24N6O2S2/c1-12-15(16(25)24(23(12)2)13-7-4-3-5-8-13)20-18(28)22-21-17(27)19-11-14-9-6-10-26-14/h3-5,7-8,14H,6,9-11H2,1-2H3,(H2,19,21,27)(H2,20,22,28)/t14-/m0/s1