1-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]-3-(4-ethoxyphenyl)thiourea

Systemtic Name: 1-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-[[2-(3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-p-phenetyl-thiourea Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=CC(=N2)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=CC(=N2)C)C

InChI

InChI=1S/C16H21N5O2S/c1-4-23-14-7-5-13(6-8-14)17-16(24)19-18-15(22)10-21-12(3)9-11(2)20-21/h5-9H,4,10H2,1-3H3,(H,18,22)(H2,17,19,24)