ethyl N-[(1S,2S)-2-[(2,5-ditert-butylphenyl)carbamothioylamino]-1,2-diphenyl-ethyl]carbamate

Systemtic Name: ethyl N-[(1S,2S)-2-[(2,5-ditert-butylphenyl)carbamothioylamino]-1,2-diphenyl-ethyl]carbamate Openeye Name: ethyl N-[(1S,2S)-2-[(2,5-ditert-butylphenyl)carbamothioylamino]-1,2-diphenyl-ethyl]carbamate CAS Name: N-[(1S,2S)-2-[[(2,5-ditert-butylanilino)-sulfanylidenemethyl]amino]-1,2-diphenylethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(1S,2S)-2-[(2,5-ditert-butylphenyl)carbamothioylamino]-1,2-diphenylethyl]carbamate Traditional Name: N-[(1S,2S)-2-[(2,5-ditert-butylphenyl)thiocarbamoylamino]-1,2-diphenyl-ethyl]carbamic acid ethyl ester Formula: C32H41N3O2S MolecularWeight: 531.75184

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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=C(C=CC(=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCOC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C32H41N3O2S/c1-8-37-30(36)35-28(23-17-13-10-14-18-23)27(22-15-11-9-12-16-22)34-29(38)33-26-21-24(31(2,3)4)19-20-25(26)32(5,6)7/h9-21,27-28H,8H2,1-7H3,(H,35,36)(H2,33,34,38)/t27-,28-/m0/s1