[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CSC(=N1)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CSC(=N1)NCC2=CC=CC=C2

InChI

InChI=1S/C17H20N4O4S/c1-10(2)13(14(22)21-16(18)24)25-15(23)12-9-26-17(20-12)19-8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,19,20)(H3,18,21,22,24)