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

Systemtic Name: N-butyl-2-[[(3-chlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-butyl-2-[[(3-chlorophenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxamide CAS Name: N-butyl-2-[[[(3-chloroanilino)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxamide IUPAC Name: N-butyl-2-[[(3-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[(3-chlorophenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxamide Formula: C19H25ClN4O2S MolecularWeight: 408.9454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN4O2S/c1-4-5-9-21-18(25)16-12-27-17(23-16)11-24(13(2)3)19(26)22-15-8-6-7-14(20)10-15/h6-8,10,12-13H,4-5,9,11H2,1-3H3,(H,21,25)(H,22,26)