methyl 3-[[2-(4-carbamothioylphenyl)carbonylimino-3-cyclohexyl-4-methyl-1,3-thiazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamothioylphenyl)carbonylimino-3-cyclohexyl-4-methyl-1,3-thiazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamothioylbenzoyl)imino-3-cyclohexyl-4-methyl-thiazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-[(4-carbamothioylphenyl)-oxomethyl]imino-3-cyclohexyl-4-methyl-5-thiazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamothioylbenzoyl)imino-3-cyclohexyl-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[3-cyclohexyl-4-methyl-2-(4-thiocarbamoylbenzoyl)imino-4-thiazoline-5-carbonyl]amino]propionic acid methyl ester Formula: C23H28N4O4S2 MolecularWeight: 488.62282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=S)N)N1C3CCCCC3)C(=O)NCCC(=O)OC

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=S)N)N1C3CCCCC3)C(=O)NCCC(=O)OC

InChI

InChI=1S/C23H28N4O4S2/c1-14-19(22(30)25-13-12-18(28)31-2)33-23(27(14)17-6-4-3-5-7-17)26-21(29)16-10-8-15(9-11-16)20(24)32/h8-11,17H,3-7,12-13H2,1-2H3,(H2,24,32)(H,25,30)