[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=CSC(=N1)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=CSC(=N1)NCC2=CC=CC=C2

InChI

InChI=1S/C18H22N4O4S/c1-12(2)8-19-17(25)22-15(23)10-26-16(24)14-11-27-18(21-14)20-9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,20,21)(H2,19,22,23,25)