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

Systemtic Name: 1-cyclohexyl-3-[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]thiourea Openeye Name: 1-cyclohexyl-3-[(E)-C-phenyl-N-(p-tolylsulfonyl)carbonimidoyl]thiourea CAS Name: 1-cyclohexyl-3-[(E)-(4-methylphenyl)sulfonylimino-phenylmethyl]thiourea IUPAC Name: 1-cyclohexyl-3-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]thiourea Traditional Name: 1-cyclohexyl-3-[(E)-C-phenyl-N-tosyl-carbonimidoyl]thiourea Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)NC(=S)NC3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/NC(=S)NC3CCCCC3

InChI

InChI=1S/C21H25N3O2S2/c1-16-12-14-19(15-13-16)28(25,26)24-20(17-8-4-2-5-9-17)23-21(27)22-18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H2,22,23,24,27)