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

Systemtic Name: 2-[[(3-chlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-N-hexyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(3-chlorophenyl)carbamoyl-isopropyl-amino]methyl]-N-hexyl-thiazole-4-carboxamide CAS Name: 2-[[[(3-chloroanilino)-oxomethyl]-propan-2-ylamino]methyl]-N-hexyl-4-thiazolecarboxamide IUPAC Name: 2-[[(3-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-hexyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(3-chlorophenyl)carbamoyl-isopropyl-amino]methyl]-N-hexyl-thiazole-4-carboxamide Formula: C21H29ClN4O2S MolecularWeight: 436.99856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN4O2S/c1-4-5-6-7-11-23-20(27)18-14-29-19(25-18)13-26(15(2)3)21(28)24-17-10-8-9-16(22)12-17/h8-10,12,14-15H,4-7,11,13H2,1-3H3,(H,23,27)(H,24,28)