ethyl 2-[2-[[4-(phenylcarbonyl)phenyl]carbonylcarbamothioylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[[4-(phenylcarbonyl)phenyl]carbonylcarbamothioylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[(4-benzoylbenzoyl)carbamothioylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[[[(4-benzoylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-benzoylbenzoyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(4-benzoylbenzoyl)thiocarbamoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O4S2/c1-2-29-18(26)12-17-13-31-22(23-17)25-21(30)24-20(28)16-10-8-15(9-11-16)19(27)14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H2,23,24,25,28,30)