1-(2,6-dimethylphenyl)-3-[2-methoxy-5-(phenylsulfonyl)phenyl]thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[2-methoxy-5-(phenylsulfonyl)phenyl]thiourea Openeye Name: 1-[5-(benzenesulfonyl)-2-methoxy-phenyl]-3-(2,6-dimethylphenyl)thiourea CAS Name: 1-[5-(benzenesulfonyl)-2-methoxyphenyl]-3-(2,6-dimethylphenyl)thiourea IUPAC Name: 1-[5-(benzenesulfonyl)-2-methoxyphenyl]-3-(2,6-dimethylphenyl)thiourea Traditional Name: 1-(5-besyl-2-methoxy-phenyl)-3-(2,6-dimethylphenyl)thiourea Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H22N2O3S2/c1-15-8-7-9-16(2)21(15)24-22(28)23-19-14-18(12-13-20(19)27-3)29(25,26)17-10-5-4-6-11-17/h4-14H,1-3H3,(H2,23,24,28)