1-(4-methylphenyl)sulfonyl-3-[(3-phenoxyphenyl)methyl]thiourea

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-[(3-phenoxyphenyl)methyl]thiourea Openeye Name: 1-[(3-phenoxyphenyl)methyl]-3-(p-tolylsulfonyl)thiourea CAS Name: 1-(4-methylphenyl)sulfonyl-3-[(3-phenoxyphenyl)methyl]thiourea IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-[(3-phenoxyphenyl)methyl]thiourea Traditional Name: 1-(3-phenoxybenzyl)-3-tosyl-thiourea Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=S)NCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=S)NCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S2/c1-16-10-12-20(13-11-16)28(24,25)23-21(27)22-15-17-6-5-9-19(14-17)26-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H2,22,23,27)