tert-butyl 4-[(4-dimethylaminophenyl)carbamothioylamino]butanoate

Systemtic Name: tert-butyl 4-[(4-dimethylaminophenyl)carbamothioylamino]butanoate Openeye Name: tert-butyl 4-[(4-dimethylaminophenyl)carbamothioylamino]butanoate CAS Name: 4-[[[4-(dimethylamino)anilino]-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-dimethylaminophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-dimethylaminophenyl)thiocarbamoylamino]butyric acid tert-butyl ester Formula: C17H27N3O2S MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCNC(=S)NC1=CC=C(C=C1)N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CCCNC(=S)NC1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C17H27N3O2S/c1-17(2,3)22-15(21)7-6-12-18-16(23)19-13-8-10-14(11-9-13)20(4)5/h8-11H,6-7,12H2,1-5H3,(H2,18,19,23)