ethyl 2-[2-[2-[(pyridin-4-ylcarbonylamino)carbamothioylsulfanyl]ethanoylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-[(pyridin-4-ylcarbonylamino)carbamothioylsulfanyl]ethanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[2-[(pyridine-4-carbonylamino)carbamothioylsulfanyl]acetyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[1-oxo-2-[[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]thio]ethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-[(pyridine-4-carbonylamino)carbamothioylsulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-(isonicotinamidothiocarbamoylthio)acetyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C16H17N5O4S3 MolecularWeight: 439.53228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O4S3/c1-2-25-13(23)7-11-8-27-15(18-11)19-12(22)9-28-16(26)21-20-14(24)10-3-5-17-6-4-10/h3-6,8H,2,7,9H2,1H3,(H,20,24)(H,21,26)(H,18,19,22)