1-[(E)-N-[(4-methylphenyl)sulfonylmethyl]-C-phenyl-carbonimidoyl]-3-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 1-[(E)-N-[(4-methylphenyl)sulfonylmethyl]-C-phenyl-carbonimidoyl]-3-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-[(E)-C-phenyl-N-(p-tolylsulfonylmethyl)carbonimidoyl]-3-(2-pyridylmethyl)thiourea CAS Name: 1-[(E)-(4-methylphenyl)sulfonylmethylimino-phenylmethyl]-3-(2-pyridinylmethyl)thiourea IUPAC Name: 1-[(E)-N-[(4-methylphenyl)sulfonylmethyl]-C-phenylcarbonimidoyl]-3-(pyridin-2-ylmethyl)thiourea Traditional Name: 1-[(E)-C-phenyl-N-(tosylmethyl)carbonimidoyl]-3-(2-pyridylmethyl)thiourea Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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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)NCC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C/N=C(\C2=CC=CC=C2)/NC(=S)NCC3=CC=CC=N3

InChI

InChI=1S/C22H22N4O2S2/c1-17-10-12-20(13-11-17)30(27,28)16-25-21(18-7-3-2-4-8-18)26-22(29)24-15-19-9-5-6-14-23-19/h2-14H,15-16H2,1H3,(H2,24,25,26,29)