ethyl 2-[(E)-[azanyl-[[4-[2-hydroxyethyl(propyl)carbamoyl]phenyl]carbonylamino]methylidene]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(E)-[azanyl-[[4-[2-hydroxyethyl(propyl)carbamoyl]phenyl]carbonylamino]methylidene]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(E)-[amino-[[4-[2-hydroxyethyl(propyl)carbamoyl]benzoyl]amino]methylene]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(E)-[amino-[[[4-[[2-hydroxyethyl(propyl)amino]-oxomethyl]phenyl]-oxomethyl]amino]methylidene]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-[amino-[[4-[2-hydroxyethyl(propyl)carbamoyl]benzoyl]amino]methylidene]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(E)-[amino-[[4-[2-hydroxyethyl(propyl)carbamoyl]benzoyl]amino]methylene]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCO)C(=O)C1=CC=C(C=C1)C(=O)NC(=NC2=NC(=C(S2)C(=O)OCC)C)N

Isomeric SMILES

CCCN(CCO)C(=O)C1=CC=C(C=C1)C(=O)N/C(=N/C2=NC(=C(S2)C(=O)OCC)C)/N

InChI

InChI=1S/C21H27N5O5S/c1-4-10-26(11-12-27)18(29)15-8-6-14(7-9-15)17(28)24-20(22)25-21-23-13(3)16(32-21)19(30)31-5-2/h6-9,27H,4-5,10-12H2,1-3H3,(H3,22,23,24,25,28)