7-[[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]carbonylamino]-3-phenyl-heptanoate

Systemtic Name: 7-[[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]carbonylamino]-3-phenyl-heptanoate Openeye Name: 7-[(2-guanidino-4-methyl-thiazole-5-carbonyl)amino]-3-phenyl-heptanoate CAS Name: 7-[[[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]-oxomethyl]amino]-3-phenylheptanoate IUPAC Name: 7-[[2-(diaminomethylideneamino)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-phenylheptanoate Traditional Name: 7-[(2-guanidino-4-methyl-thiazole-5-carbonyl)amino]-3-phenyl-enanthate Formula: C19H24N5O3S- MolecularWeight: 402.49056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(N)N)C(=O)NCCCCC(CC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC1=C(SC(=N1)N=C(N)N)C(=O)NCCCCC(CC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C19H25N5O3S/c1-12-16(28-19(23-12)24-18(20)21)17(27)22-10-6-5-9-14(11-15(25)26)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,22,27)(H,25,26)(H4,20,21,23,24)/p-1