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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C19H25ClN4O2S/c1-5-13(4)21-18(25)16-11-27-17(23-16)10-24(12(2)3)19(26)22-15-8-6-7-14(20)9-15/h6-9,11-13H,5,10H2,1-4H3,(H,21,25)(H,22,26)/t13-/m0/s1