aminocarbonyl 3-[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-2,3-diphenyl-butanoate

Systemtic Name: aminocarbonyl 3-[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-2,3-diphenyl-butanoate Openeye Name: carbamoyl 3-(2-guanidino-4-methyl-thiazol-5-yl)-2-methyl-2,3-diphenyl-butanoate CAS Name: 3-[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]-2-methyl-2,3-diphenylbutanoic acid carbamoyl ester IUPAC Name: carbamoyl 3-[2-(diaminomethylideneamino)-4-methyl-1,3-thiazol-5-yl]-2-methyl-2,3-diphenylbutanoate Traditional Name: 3-(2-guanidino-4-methyl-thiazol-5-yl)-2-methyl-2,3-diphenyl-butyric acid carbamoyl ester Formula: C23H25N5O3S MolecularWeight: 451.5413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(N)N)C(C)(C2=CC=CC=C2)C(C)(C3=CC=CC=C3)C(=O)OC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)N=C(N)N)C(C)(C2=CC=CC=C2)C(C)(C3=CC=CC=C3)C(=O)OC(=O)N

InChI

InChI=1S/C23H25N5O3S/c1-14-17(32-21(27-14)28-19(24)25)22(2,15-10-6-4-7-11-15)23(3,18(29)31-20(26)30)16-12-8-5-9-13-16/h4-13H,1-3H3,(H2,26,30)(H4,24,25,27,28)