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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[2-(5-methyl-4-nitroso-2-propan-2-yl-phenoxy)ethanoylamino]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[[2-(2-isopropyl-5-methyl-4-nitroso-phenoxy)acetyl]amino]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[[2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[[2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetyl]amino]thiourea Traditional Name: 1-(3,4-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=C(C=C1)NC(=S)NNC(=O)COC2=CC(=C(C=C2C(C)C)N=O)C)C

Isomeric SMILES

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

InChI

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