1-(3,5-dimethylphenyl)-3-[[4-(3-methylbutoxy)phenyl]carbonylamino]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[[4-(3-methylbutoxy)phenyl]carbonylamino]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[(4-isopentyloxybenzoyl)amino]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[(4-isoamoxybenzoyl)amino]thiourea Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)OCCC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)OCCC(C)C)C

InChI

InChI=1S/C21H27N3O2S/c1-14(2)9-10-26-19-7-5-17(6-8-19)20(25)23-24-21(27)22-18-12-15(3)11-16(4)13-18/h5-8,11-14H,9-10H2,1-4H3,(H,23,25)(H2,22,24,27)