1-(2,6-dimethylphenyl)-3-[1-[(2,6-dimethylphenyl)carbamothioylamino]propan-2-yl]thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[1-[(2,6-dimethylphenyl)carbamothioylamino]propan-2-yl]thiourea Openeye Name: 1-(2,6-dimethylphenyl)-3-[2-[(2,6-dimethylphenyl)carbamothioylamino]-1-methyl-ethyl]thiourea CAS Name: 1-[1-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]propan-2-yl]-3-(2,6-dimethylphenyl)thiourea IUPAC Name: 1-(2,6-dimethylphenyl)-3-[1-[(2,6-dimethylphenyl)carbamothioylamino]propan-2-yl]thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-[2-[(2,6-dimethylphenyl)thiocarbamoylamino]-1-methyl-ethyl]thiourea Formula: C21H28N4S2 MolecularWeight: 400.60382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NCC(C)NC(=S)NC2=C(C=CC=C2C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NCC(C)NC(=S)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C21H28N4S2/c1-13-8-6-9-14(2)18(13)24-20(26)22-12-17(5)23-21(27)25-19-15(3)10-7-11-16(19)4/h6-11,17H,12H2,1-5H3,(H2,22,24,26)(H2,23,25,27)