methyl 3-[[3,4-dimethyl-2-(4-morpholin-4-ylcarbothioylphenyl)carbonylimino-1,3-thiazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[3,4-dimethyl-2-(4-morpholin-4-ylcarbothioylphenyl)carbonylimino-1,3-thiazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[3,4-dimethyl-2-[4-(morpholine-4-carbothioyl)benzoyl]imino-thiazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[3,4-dimethyl-2-[[4-[4-morpholinyl(sulfanylidene)methyl]phenyl]-oxomethyl]imino-5-thiazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3,4-dimethyl-2-[4-(morpholine-4-carbothioyl)benzoyl]imino-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[3,4-dimethyl-2-[4-(morpholine-4-carbothioyl)benzoyl]imino-4-thiazoline-5-carbonyl]amino]propionic acid methyl ester Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=S)N3CCOCC3)N1C)C(=O)NCCC(=O)OC

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=S)N3CCOCC3)N1C)C(=O)NCCC(=O)OC

InChI

InChI=1S/C22H26N4O5S2/c1-14-18(20(29)23-9-8-17(27)30-3)33-22(25(14)2)24-19(28)15-4-6-16(7-5-15)21(32)26-10-12-31-13-11-26/h4-7H,8-13H2,1-3H3,(H,23,29)