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

Systemtic Name: 2-[[(4-chlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(4-chlorophenyl)carbamoyl-isopropyl-amino]methyl]-N-pentyl-thiazole-4-carboxamide CAS Name: 2-[[[(4-chloroanilino)-oxomethyl]-propan-2-ylamino]methyl]-N-pentyl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide Traditional Name: N-amyl-2-[[(4-chlorophenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxamide Formula: C20H27ClN4O2S MolecularWeight: 422.97198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN4O2S/c1-4-5-6-11-22-19(26)17-13-28-18(24-17)12-25(14(2)3)20(27)23-16-9-7-15(21)8-10-16/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,22,26)(H,23,27)