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

Systemtic Name: pyridin-2-ylmethyl 3-[[3-butyl-2-(4-carbamothioylphenyl)carbonylimino-4-methyl-1,3-thiazol-5-yl]carbonylamino]propanoate Openeye Name: 2-pyridylmethyl 3-[[3-butyl-2-(4-carbamothioylbenzoyl)imino-4-methyl-thiazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[3-butyl-2-[(4-carbamothioylphenyl)-oxomethyl]imino-4-methyl-5-thiazolyl]-oxomethyl]amino]propanoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3-[[3-butyl-2-(4-carbamothioylbenzoyl)imino-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[3-butyl-4-methyl-2-(4-thiocarbamoylbenzoyl)imino-4-thiazoline-5-carbonyl]amino]propionic acid 2-pyridylmethyl ester Formula: C26H29N5O4S2 MolecularWeight: 539.66956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(SC1=NC(=O)C2=CC=C(C=C2)C(=S)N)C(=O)NCCC(=O)OCC3=CC=CC=N3)C

Isomeric SMILES

CCCCN1C(=C(SC1=NC(=O)C2=CC=C(C=C2)C(=S)N)C(=O)NCCC(=O)OCC3=CC=CC=N3)C

InChI

InChI=1S/C26H29N5O4S2/c1-3-4-15-31-17(2)22(25(34)29-14-12-21(32)35-16-20-7-5-6-13-28-20)37-26(31)30-24(33)19-10-8-18(9-11-19)23(27)36/h5-11,13H,3-4,12,14-16H2,1-2H3,(H2,27,36)(H,29,34)