tert-butyl 4-[(2-phenylphenyl)carbamothioylamino]butanoate

Systemtic Name: tert-butyl 4-[(2-phenylphenyl)carbamothioylamino]butanoate Openeye Name: tert-butyl 4-[(2-phenylphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2-phenylanilino)-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-phenylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2-phenylphenyl)thiocarbamoylamino]butyric acid tert-butyl ester Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCNC(=S)NC1=CC=CC=C1C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CCCNC(=S)NC1=CC=CC=C1C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2S/c1-21(2,3)25-19(24)14-9-15-22-20(26)23-18-13-8-7-12-17(18)16-10-5-4-6-11-16/h4-8,10-13H,9,14-15H2,1-3H3,(H2,22,23,26)