ethyl 2-[2-[[(2S)-2-phenylpropyl]carbamothioylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[[(2S)-2-phenylpropyl]carbamothioylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[(2S)-2-phenylpropyl]carbamothioylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[[[(2S)-2-phenylpropyl]amino]-sulfanylidenemethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[(2S)-2-phenylpropyl]carbamothioylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[(2S)-2-phenylpropyl]thiocarbamoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C17H21N3O2S2 MolecularWeight: 363.49754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=S)NCC(C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=S)NC[C@@H](C)C2=CC=CC=C2

InChI

InChI=1S/C17H21N3O2S2/c1-3-22-15(21)9-14-11-24-17(19-14)20-16(23)18-10-12(2)13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H2,18,19,20,23)/t12-/m1/s1