[2-oxidanylidene-2-(phenylcarbamoylamino)ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(phenylcarbamoylamino)ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [2-[[anilino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [2-keto-2-(phenylcarbamoylamino)ethyl] ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NC(=O)NC2=CC=CC=C2

InChI

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