ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate

Systemtic Name: ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate Openeye Name: ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate CAS Name: 4-[[1-tert-butylimino-3-(phenylthio)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate Traditional Name: 4-[[N-tert-butyl-C-[2-(phenylthio)ethyl]carbonimidoyl]amino]benzoic acid ethyl ester Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=NC(C)(C)C)CCSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=NC(C)(C)C)CCSC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O2S/c1-5-26-21(25)17-11-13-18(14-12-17)23-20(24-22(2,3)4)15-16-27-19-9-7-6-8-10-19/h6-14H,5,15-16H2,1-4H3,(H,23,24)