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

Systemtic Name: phenylcarbamoyl 3-[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-yl-butanoate Openeye Name: phenylcarbamoyl 3-(2-guanidino-4-methyl-thiazol-5-yl)-3-(3-pyridyl)butanoate CAS Name: 3-[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]-3-(3-pyridinyl)butanoic acid [anilino(oxo)methyl] ester IUPAC Name: phenylcarbamoyl 3-[2-(diaminomethylideneamino)-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylbutanoate Traditional Name: 3-(2-guanidino-4-methyl-thiazol-5-yl)-3-(3-pyridyl)butyric acid phenylcarbamoyl ester Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(N)N)C(C)(CC(=O)OC(=O)NC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC1=C(SC(=N1)N=C(N)N)C(C)(CC(=O)OC(=O)NC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C21H22N6O3S/c1-13-17(31-19(25-13)27-18(22)23)21(2,14-7-6-10-24-12-14)11-16(28)30-20(29)26-15-8-4-3-5-9-15/h3-10,12H,11H2,1-2H3,(H,26,29)(H4,22,23,25,27)