[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 3-phenyl-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-phenylpropanoic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-(carbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-3-ureido-propionic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)CC(C2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)OC(=O)CC(C2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C18H21N3O4S/c1-12(17(23)20-11-14-8-5-9-26-14)25-16(22)10-15(21-18(19)24)13-6-3-2-4-7-13/h2-9,12,15H,10-11H2,1H3,(H,20,23)(H3,19,21,24)