ethyl N-[(1S,2S)-2-[(2-tert-butylphenyl)carbamothioylamino]-1,2-diphenyl-ethyl]carbamate

Systemtic Name: ethyl N-[(1S,2S)-2-[(2-tert-butylphenyl)carbamothioylamino]-1,2-diphenyl-ethyl]carbamate Openeye Name: ethyl N-[(1S,2S)-2-[(2-tert-butylphenyl)carbamothioylamino]-1,2-diphenyl-ethyl]carbamate CAS Name: N-[(1S,2S)-2-[[(2-tert-butylanilino)-sulfanylidenemethyl]amino]-1,2-diphenylethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(1S,2S)-2-[(2-tert-butylphenyl)carbamothioylamino]-1,2-diphenylethyl]carbamate Traditional Name: N-[(1S,2S)-2-[(2-tert-butylphenyl)thiocarbamoylamino]-1,2-diphenyl-ethyl]carbamic acid ethyl ester Formula: C28H33N3O2S MolecularWeight: 475.64552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(C1=CC=CC=C1)C(C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3C(C)(C)C

Isomeric SMILES

CCOC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3C(C)(C)C

InChI

InChI=1S/C28H33N3O2S/c1-5-33-27(32)31-25(21-16-10-7-11-17-21)24(20-14-8-6-9-15-20)30-26(34)29-23-19-13-12-18-22(23)28(2,3)4/h6-19,24-25H,5H2,1-4H3,(H,31,32)(H2,29,30,34)/t24-,25-/m0/s1