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

Systemtic Name: azanyl 2-[[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]carbonyl]-3-phenyl-heptanoate Openeye Name: amino 2-(2-guanidino-4-methyl-thiazole-5-carbonyl)-3-phenyl-heptanoate CAS Name: 2-[[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]-oxomethyl]-3-phenylheptanoic acid amino ester IUPAC Name: amino 2-[2-(diaminomethylideneamino)-4-methyl-1,3-thiazole-5-carbonyl]-3-phenylheptanoate Traditional Name: 2-(2-guanidino-4-methyl-thiazole-5-carbonyl)-3-phenyl-enanthic acid amino ester Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1)C(C(=O)C2=C(N=C(S2)N=C(N)N)C)C(=O)ON

Isomeric SMILES

CCCCC(C1=CC=CC=C1)C(C(=O)C2=C(N=C(S2)N=C(N)N)C)C(=O)ON

InChI

InChI=1S/C19H25N5O3S/c1-3-4-10-13(12-8-6-5-7-9-12)14(17(26)27-22)15(25)16-11(2)23-19(28-16)24-18(20)21/h5-9,13-14H,3-4,10,22H2,1-2H3,(H4,20,21,23,24)