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

Systemtic Name: 2-[[(3-chlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(3-chlorophenyl)carbamoyl-isopropyl-amino]methyl]-N-(4-pyridylmethyl)thiazole-4-carboxamide CAS Name: 2-[[[(3-chloroanilino)-oxomethyl]-propan-2-ylamino]methyl]-N-(pyridin-4-ylmethyl)-4-thiazolecarboxamide IUPAC Name: 2-[[(3-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(3-chlorophenyl)carbamoyl-isopropyl-amino]methyl]-N-(4-pyridylmethyl)thiazole-4-carboxamide Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=NC(=CS1)C(=O)NCC2=CC=NC=C2)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)N(CC1=NC(=CS1)C(=O)NCC2=CC=NC=C2)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H22ClN5O2S/c1-14(2)27(21(29)25-17-5-3-4-16(22)10-17)12-19-26-18(13-30-19)20(28)24-11-15-6-8-23-9-7-15/h3-10,13-14H,11-12H2,1-2H3,(H,24,28)(H,25,29)