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

Systemtic Name: 2-[[(4-cyanophenyl)carbamoyl-propan-2-yl-amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(4-cyanophenyl)carbamoyl-isopropyl-amino]methyl]-N-isopropyl-thiazole-4-carboxamide CAS Name: 2-[[[(4-cyanoanilino)-oxomethyl]-propan-2-ylamino]methyl]-N-propan-2-yl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-cyanophenyl)carbamoyl-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-cyanophenyl)carbamoyl-isopropyl-amino]methyl]-N-isopropyl-thiazole-4-carboxamide Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)NC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H23N5O2S/c1-12(2)21-18(25)16-11-27-17(23-16)10-24(13(3)4)19(26)22-15-7-5-14(9-20)6-8-15/h5-8,11-13H,10H2,1-4H3,(H,21,25)(H,22,26)