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

Systemtic Name: 1-[2-(5-methyl-4-nitroso-2-propan-2-yl-phenoxy)ethanoylamino]-3-(3-methylphenyl)thiourea Openeye Name: 1-[[2-(2-isopropyl-5-methyl-4-nitroso-phenoxy)acetyl]amino]-3-(m-tolyl)thiourea CAS Name: 1-[[2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-3-(3-methylphenyl)thiourea IUPAC Name: 1-[[2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetyl]amino]-3-(3-methylphenyl)thiourea Traditional Name: 1-[[2-(2-isopropyl-5-methyl-4-nitroso-phenoxy)acetyl]amino]-3-(m-tolyl)thiourea Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S/c1-12(2)16-10-17(24-26)14(4)9-18(16)27-11-19(25)22-23-20(28)21-15-7-5-6-13(3)8-15/h5-10,12H,11H2,1-4H3,(H,22,25)(H2,21,23,28)