1-(4-bromanyl-2,6-dimethyl-phenyl)-3-[(2-phenylphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(4-bromanyl-2,6-dimethyl-phenyl)-3-[(2-phenylphenyl)carbamothioylamino]thiourea Openeye Name: 1-(4-bromo-2,6-dimethyl-phenyl)-3-[(2-phenylphenyl)carbamothioylamino]thiourea CAS Name: 1-[[(4-bromo-2,6-dimethylanilino)-sulfanylidenemethyl]amino]-3-(2-phenylphenyl)thiourea IUPAC Name: 1-(4-bromo-2,6-dimethylphenyl)-3-[(2-phenylphenyl)carbamothioylamino]thiourea Traditional Name: 1-(4-bromo-2,6-dimethyl-phenyl)-3-[(2-phenylphenyl)thiocarbamoylamino]thiourea Formula: C22H21BrN4S2 MolecularWeight: 485.46294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=S)NNC(=S)NC2=CC=CC=C2C3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=S)NNC(=S)NC2=CC=CC=C2C3=CC=CC=C3)C)Br

InChI

InChI=1S/C22H21BrN4S2/c1-14-12-17(23)13-15(2)20(14)25-22(29)27-26-21(28)24-19-11-7-6-10-18(19)16-8-4-3-5-9-16/h3-13H,1-2H3,(H2,24,26,28)(H2,25,27,29)