1-[[(2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoyl]amino]-3-(2-ethylphenyl)thiourea

Systemtic Name: 1-[[(2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoyl]amino]-3-(2-ethylphenyl)thiourea Openeye Name: 1-[[(2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoyl]amino]-3-(2-ethylphenyl)thiourea CAS Name: 1-[[(2S)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-(2-ethylphenyl)thiourea IUPAC Name: 1-[[(2S)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]amino]-3-(2-ethylphenyl)thiourea Traditional Name: 1-[[(2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoyl]amino]-3-(2-ethylphenyl)thiourea Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NNC(=O)C(C)N2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NNC(=O)[C@H](C)N2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N6O3S/c1-5-13-8-6-7-9-14(13)18-17(27)20-19-16(24)12(4)22-11(3)15(23(25)26)10(2)21-22/h6-9,12H,5H2,1-4H3,(H,19,24)(H2,18,20,27)/t12-/m0/s1