tert-butyl N-[(2S)-3-(4-carbamothioylphenyl)-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-(4-carbamothioylphenyl)-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(4-carbamothioylphenyl)methyl]-2-morpholino-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-(4-carbamothioylphenyl)-1-(4-morpholinyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-(4-carbamothioylphenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-keto-2-morpholino-1-(4-thiocarbamoylbenzyl)ethyl]carbamic acid tert-butyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(=S)N)C(=O)N2CCOCC2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C(=S)N)C(=O)N2CCOCC2

InChI

InChI=1S/C19H27N3O4S/c1-19(2,3)26-18(24)21-15(17(23)22-8-10-25-11-9-22)12-13-4-6-14(7-5-13)16(20)27/h4-7,15H,8-12H2,1-3H3,(H2,20,27)(H,21,24)/t15-/m0/s1