tert-butyl 3-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]propanoate

Systemtic Name: tert-butyl 3-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]propanoate Openeye Name: tert-butyl 3-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]propanoate CAS Name: 3-[[(2-methoxy-5-phenylanilino)-sulfanylidenemethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2-methoxy-5-phenylphenyl)carbamothioylamino]propanoate Traditional Name: 3-[(2-methoxy-5-phenyl-phenyl)thiocarbamoylamino]propionic acid tert-butyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNC(=S)NC1=C(C=CC(=C1)C2=CC=CC=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)CCNC(=S)NC1=C(C=CC(=C1)C2=CC=CC=C2)OC

InChI

InChI=1S/C21H26N2O3S/c1-21(2,3)26-19(24)12-13-22-20(27)23-17-14-16(10-11-18(17)25-4)15-8-6-5-7-9-15/h5-11,14H,12-13H2,1-4H3,(H2,22,23,27)