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

Systemtic Name: methyl 2-[[(3-cyanophenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(3-cyanophenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-cyanoanilino)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-cyanophenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-cyanophenyl)carbamoyl-isopropyl-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:

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

Isomeric SMILES

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

InChI

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