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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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