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

Systemtic Name: methyl 2-[[(3-cyanophenyl)carbamoyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(3-cyanophenyl)carbamoyl-propyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-cyanoanilino)-oxomethyl]-propylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-cyanophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-cyanophenyl)carbamoyl-propyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=CS1)C(=O)OC)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCCN(CC1=NC(=CS1)C(=O)OC)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H18N4O3S/c1-3-7-21(10-15-20-14(11-25-15)16(22)24-2)17(23)19-13-6-4-5-12(8-13)9-18/h4-6,8,11H,3,7,10H2,1-2H3,(H,19,23)