1-(4-methoxyphenyl)-3-[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]thiourea

Systemtic Name: 1-(4-methoxyphenyl)-3-[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]thiourea Openeye Name: 1-(4-methoxyphenyl)-3-[(E)-C-phenyl-N-(p-tolylsulfonyl)carbonimidoyl]thiourea CAS Name: 1-(4-methoxyphenyl)-3-[(E)-(4-methylphenyl)sulfonylimino-phenylmethyl]thiourea IUPAC Name: 1-(4-methoxyphenyl)-3-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]thiourea Traditional Name: 1-(4-methoxyphenyl)-3-[(E)-C-phenyl-N-tosyl-carbonimidoyl]thiourea Formula: C22H21N3O3S2 MolecularWeight: 439.55044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/NC(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21N3O3S2/c1-16-8-14-20(15-9-16)30(26,27)25-21(17-6-4-3-5-7-17)24-22(29)23-18-10-12-19(28-2)13-11-18/h3-15H,1-2H3,(H2,23,24,25,29)