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

Systemtic Name: 1-[(E)-N-[(4-methylphenyl)sulfonylmethyl]-C-phenyl-carbonimidoyl]-3-phenyl-thiourea Openeye Name: 1-phenyl-3-[(E)-C-phenyl-N-(p-tolylsulfonylmethyl)carbonimidoyl]thiourea CAS Name: 1-[(E)-(4-methylphenyl)sulfonylmethylimino-phenylmethyl]-3-phenylthiourea IUPAC Name: 1-[(E)-N-[(4-methylphenyl)sulfonylmethyl]-C-phenylcarbonimidoyl]-3-phenylthiourea Traditional Name: 1-phenyl-3-[(E)-C-phenyl-N-(tosylmethyl)carbonimidoyl]thiourea Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S2/c1-17-12-14-20(15-13-17)29(26,27)16-23-21(18-8-4-2-5-9-18)25-22(28)24-19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H2,23,24,25,28)