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

Systemtic Name: 2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-N-hexyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(3,4-dichlorophenyl)carbamoyl-isopropyl-amino]methyl]-N-hexyl-thiazole-4-carboxamide CAS Name: 2-[[[(3,4-dichloroanilino)-oxomethyl]-propan-2-ylamino]methyl]-N-hexyl-4-thiazolecarboxamide IUPAC Name: 2-[[(3,4-dichlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-hexyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(3,4-dichlorophenyl)carbamoyl-isopropyl-amino]methyl]-N-hexyl-thiazole-4-carboxamide Formula: C21H28Cl2N4O2S MolecularWeight: 471.44362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28Cl2N4O2S/c1-4-5-6-7-10-24-20(28)18-13-30-19(26-18)12-27(14(2)3)21(29)25-15-8-9-16(22)17(23)11-15/h8-9,11,13-14H,4-7,10,12H2,1-3H3,(H,24,28)(H,25,29)