ethyl 2-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]thiazole-4-carboxylate CAS Name: 2-[[4-[[(3-chlorophenyl)methylamino]-oxomethyl]phenyl]methyl-methylamino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl-methylamino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[4-[(3-chlorobenzyl)carbamoyl]benzyl]-methyl-amino]thiazole-4-carboxylic acid ethyl ester Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)N(C)CC2=CC=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)N(C)CC2=CC=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H22ClN3O3S/c1-3-29-21(28)19-14-30-22(25-19)26(2)13-15-7-9-17(10-8-15)20(27)24-12-16-5-4-6-18(23)11-16/h4-11,14H,3,12-13H2,1-2H3,(H,24,27)