1-(2,6-dimethylphenyl)-3-[2-(5-methyl-4-nitroso-2-propan-2-yl-phenoxy)ethanoylamino]thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[2-(5-methyl-4-nitroso-2-propan-2-yl-phenoxy)ethanoylamino]thiourea Openeye Name: 1-(2,6-dimethylphenyl)-3-[[2-(2-isopropyl-5-methyl-4-nitroso-phenoxy)acetyl]amino]thiourea CAS Name: 1-(2,6-dimethylphenyl)-3-[[2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(2,6-dimethylphenyl)-3-[[2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetyl]amino]thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-[[2-(2-isopropyl-5-methyl-4-nitroso-phenoxy)acetyl]amino]thiourea Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NNC(=O)COC2=CC(=C(C=C2C(C)C)N=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NNC(=O)COC2=CC(=C(C=C2C(C)C)N=O)C

InChI

InChI=1S/C21H26N4O3S/c1-12(2)16-10-17(25-27)15(5)9-18(16)28-11-19(26)23-24-21(29)22-20-13(3)7-6-8-14(20)4/h6-10,12H,11H2,1-5H3,(H,23,26)(H2,22,24,29)