1-[(2R)-2-methylheptyl]-3-[(6-methyl-4-oxidanylidene-1-phenyl-pyridazin-3-yl)carbonylamino]thiourea

Systemtic Name: 1-[(2R)-2-methylheptyl]-3-[(6-methyl-4-oxidanylidene-1-phenyl-pyridazin-3-yl)carbonylamino]thiourea Openeye Name: 1-[(2R)-2-methylheptyl]-3-[(6-methyl-4-oxo-1-phenyl-pyridazine-3-carbonyl)amino]thiourea CAS Name: 1-[(2R)-2-methylheptyl]-3-[[(6-methyl-4-oxo-1-phenyl-3-pyridazinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(2R)-2-methylheptyl]-3-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]thiourea Traditional Name: 1-[(4-keto-6-methyl-1-phenyl-pyridazine-3-carbonyl)amino]-3-[(2R)-2-methylheptyl]thiourea Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C1=NN(C(=CC1=O)C)C2=CC=CC=C2

Isomeric SMILES

CCCCC[C@@H](C)CNC(=S)NNC(=O)C1=NN(C(=CC1=O)C)C2=CC=CC=C2

InChI

InChI=1S/C21H29N5O2S/c1-4-5-7-10-15(2)14-22-21(29)24-23-20(28)19-18(27)13-16(3)26(25-19)17-11-8-6-9-12-17/h6,8-9,11-13,15H,4-5,7,10,14H2,1-3H3,(H,23,28)(H2,22,24,29)/t15-/m1/s1