tert-butyl 4-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]butanoate

Systemtic Name: tert-butyl 4-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]butanoate Openeye Name: tert-butyl 4-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2-methoxy-5-methylanilino)-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-methoxy-5-methylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2-methoxy-5-methyl-phenyl)thiocarbamoylamino]butyric acid tert-butyl ester Formula: C17H26N2O3S MolecularWeight: 338.46494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)NCCCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)NCCCC(=O)OC(C)(C)C

InChI

InChI=1S/C17H26N2O3S/c1-12-8-9-14(21-5)13(11-12)19-16(23)18-10-6-7-15(20)22-17(2,3)4/h8-9,11H,6-7,10H2,1-5H3,(H2,18,19,23)