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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OCC(=O)NNC(=S)NCC2=CC=CC=C2)C(C)C)N=O

Isomeric SMILES

CC1=C(C=C(C(=C1)OCC(=O)NNC(=S)NCC2=CC=CC=C2)C(C)C)N=O

InChI

InChI=1S/C20H24N4O3S/c1-13(2)16-10-17(24-26)14(3)9-18(16)27-12-19(25)22-23-20(28)21-11-15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3,(H,22,25)(H2,21,23,28)