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

Systemtic Name: ethyl 7-[[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]carbonylamino]-3-phenyl-heptanoate Openeye Name: ethyl 7-[(2-guanidino-4-methyl-thiazole-5-carbonyl)amino]-3-phenyl-heptanoate CAS Name: 7-[[[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]-oxomethyl]amino]-3-phenylheptanoic acid ethyl ester IUPAC Name: ethyl 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-enanthic acid ethyl ester Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CCCCNC(=O)C1=C(N=C(S1)N=C(N)N)C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC(CCCCNC(=O)C1=C(N=C(S1)N=C(N)N)C)C2=CC=CC=C2

InChI

InChI=1S/C21H29N5O3S/c1-3-29-17(27)13-16(15-9-5-4-6-10-15)11-7-8-12-24-19(28)18-14(2)25-21(30-18)26-20(22)23/h4-6,9-10,16H,3,7-8,11-13H2,1-2H3,(H,24,28)(H4,22,23,25,26)