ethyl 6-[[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]carbonylamino]-3-phenyl-hexanoate

Systemtic Name: ethyl 6-[[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]carbonylamino]-3-phenyl-hexanoate Openeye Name: ethyl 6-[(2-guanidinothiazole-4-carbonyl)amino]-3-phenyl-hexanoate CAS Name: 6-[[[2-(diaminomethylideneamino)-4-thiazolyl]-oxomethyl]amino]-3-phenylhexanoic acid ethyl ester IUPAC Name: ethyl 6-[[2-(diaminomethylideneamino)-1,3-thiazole-4-carbonyl]amino]-3-phenylhexanoate Traditional Name: 6-[(2-guanidinothiazole-4-carbonyl)amino]-3-phenyl-hexanoic acid ethyl ester Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CCCNC(=O)C1=CSC(=N1)N=C(N)N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC(CCCNC(=O)C1=CSC(=N1)N=C(N)N)C2=CC=CC=C2

InChI

InChI=1S/C19H25N5O3S/c1-2-27-16(25)11-14(13-7-4-3-5-8-13)9-6-10-22-17(26)15-12-28-19(23-15)24-18(20)21/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,22,26)(H4,20,21,23,24)