ethyl 2-[2-[(4-morpholin-4-ylsulfonylphenyl)carbonylcarbamothioylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(4-morpholin-4-ylsulfonylphenyl)carbonylcarbamothioylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[(4-morpholinosulfonylbenzoyl)carbamothioylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-morpholin-4-ylsulfonylbenzoyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(4-morpholinosulfonylbenzoyl)thiocarbamoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C19H22N4O6S3 MolecularWeight: 498.59618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H22N4O6S3/c1-2-29-16(24)11-14-12-31-19(20-14)22-18(30)21-17(25)13-3-5-15(6-4-13)32(26,27)23-7-9-28-10-8-23/h3-6,12H,2,7-11H2,1H3,(H2,20,21,22,25,30)