1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[(2-phenylphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-[(2-phenylphenyl)carbamothioylamino]thiourea Openeye Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-[(2-phenylphenyl)carbamothioylamino]thiourea CAS Name: 1-[[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-3-(2-phenylphenyl)thiourea IUPAC Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-phenylphenyl)carbamothioylamino]thiourea Traditional Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-[(2-phenylphenyl)thiocarbamoylamino]thiourea Formula: C22H21ClN4O2S2 MolecularWeight: 473.01074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NNC(=S)NC2=CC=CC=C2C3=CC=CC=C3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NNC(=S)NC2=CC=CC=C2C3=CC=CC=C3)OC)Cl

InChI

InChI=1S/C22H21ClN4O2S2/c1-28-19-13-18(20(29-2)12-16(19)23)25-22(31)27-26-21(30)24-17-11-7-6-10-15(17)14-8-4-3-5-9-14/h3-13H,1-2H3,(H2,24,26,30)(H2,25,27,31)