benzamido 3-[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]-3-phenyl-propanoate

Systemtic Name: benzamido 3-[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]-3-phenyl-propanoate Openeye Name: benzamido 3-(2-guanidino-4-methyl-thiazol-5-yl)-3-phenyl-propanoate CAS Name: 3-[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]-3-phenylpropanoic acid benzamido ester IUPAC Name: benzamido 3-[2-(diaminomethylideneamino)-4-methyl-1,3-thiazol-5-yl]-3-phenylpropanoate Traditional Name: 3-(2-guanidino-4-methyl-thiazol-5-yl)-3-phenyl-propionic acid benzamido ester Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3S/c1-13-18(30-21(24-13)25-20(22)23)16(14-8-4-2-5-9-14)12-17(27)29-26-19(28)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3,(H,26,28)(H4,22,23,24,25)