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

Systemtic Name: 2-[[(4-chlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(4-chlorophenyl)carbamoyl-isopropyl-amino]methyl]-N-propyl-thiazole-4-carboxamide CAS Name: 2-[[[(4-chloroanilino)-oxomethyl]-propan-2-ylamino]methyl]-N-propyl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-chlorophenyl)carbamoyl-isopropyl-amino]methyl]-N-propyl-thiazole-4-carboxamide Formula: C18H23ClN4O2S MolecularWeight: 394.91882

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCNC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H23ClN4O2S/c1-4-9-20-17(24)15-11-26-16(22-15)10-23(12(2)3)18(25)21-14-7-5-13(19)6-8-14/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,24)(H,21,25)