1-[(4-bromanyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-[(4-bromanyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[[(4-bromo-2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amino]-3-homoveratryl-thiourea Formula: C17H22BrN5O3S MolecularWeight: 456.35728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)C(=O)NNC(=S)NCCC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CC1=NN(C(=C1Br)C(=O)NNC(=S)NCCC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C17H22BrN5O3S/c1-10-14(18)15(23(2)22-10)16(24)20-21-17(27)19-8-7-11-5-6-12(25-3)13(9-11)26-4/h5-6,9H,7-8H2,1-4H3,(H,20,24)(H2,19,21,27)