ethyl 2-[[(3,4-dichlorophenyl)carbamoyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(3,4-dichlorophenyl)carbamoyl-pentyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3,4-dichlorophenyl)carbamoyl-pentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3,4-dichloroanilino)-oxomethyl]-pentylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3,4-dichlorophenyl)carbamoyl-pentylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl-[(3,4-dichlorophenyl)carbamoyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C19H23Cl2N3O3S MolecularWeight: 444.37522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H23Cl2N3O3S/c1-3-5-6-9-24(11-17-23-16(12-28-17)18(25)27-4-2)19(26)22-13-7-8-14(20)15(21)10-13/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,22,26)