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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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