1-(2,3-dimethylphenyl)-3-[[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]thiourea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[[4-(2,5-dimethylphenyl)-4-oxo-butanoyl]amino]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[[4-(2,5-dimethylphenyl)-1,4-dioxobutyl]amino]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-[[4-(2,5-dimethylphenyl)-4-keto-butanoyl]amino]thiourea Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NNC(=S)NC2=CC=CC(=C2C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NNC(=S)NC2=CC=CC(=C2C)C

InChI

InChI=1S/C21H25N3O2S/c1-13-8-9-15(3)17(12-13)19(25)10-11-20(26)23-24-21(27)22-18-7-5-6-14(2)16(18)4/h5-9,12H,10-11H2,1-4H3,(H,23,26)(H2,22,24,27)