2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(3,4-dichlorophenyl)carbamoyl-isopropyl-amino]methyl]-N-(p-tolyl)thiazole-4-carboxamide CAS Name: 2-[[[(3,4-dichloroanilino)-oxomethyl]-propan-2-ylamino]methyl]-N-(4-methylphenyl)-4-thiazolecarboxamide IUPAC Name: 2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(3,4-dichlorophenyl)carbamoyl-isopropyl-amino]methyl]-N-(p-tolyl)thiazole-4-carboxamide Formula: C22H22Cl2N4O2S MolecularWeight: 477.40668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CSC(=N2)CN(C(C)C)C(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CSC(=N2)CN(C(C)C)C(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H22Cl2N4O2S/c1-13(2)28(22(30)26-16-8-9-17(23)18(24)10-16)11-20-27-19(12-31-20)21(29)25-15-6-4-14(3)5-7-15/h4-10,12-13H,11H2,1-3H3,(H,25,29)(H,26,30)