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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C20H25N3O3S/c1-13(2)10-11-21-20-23-16(12-27-20)19(25)26-17(14-6-4-3-5-7-14)18(24)22-15-8-9-15/h3-7,12-13,15,17H,8-11H2,1-2H3,(H,21,23)(H,22,24)