2-azanyl-3-(3-azanyl-4-methoxycarbonyl-phenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid

Systemtic Name: 2-azanyl-3-(3-azanyl-4-methoxycarbonyl-phenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid Openeye Name: 2-amino-3-(3-amino-4-methoxycarbonyl-phenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid CAS Name: 2-amino-3-(3-amino-4-methoxycarbonylphenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid IUPAC Name: 2-amino-3-(3-amino-4-methoxycarbonylphenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid Traditional Name: 2-amino-3-(3-amino-4-carbomethoxy-phenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2CCCCC2)SC(=N1)C3=C(C(=C(C=C3)C(=O)O)N)C4=CC(=C(C=C4)C(=O)OC)N

Isomeric SMILES

CN1C(=NC2CCCCC2)SC(=N1)C3=C(C(=C(C=C3)C(=O)O)N)C4=CC(=C(C=C4)C(=O)OC)N

InChI

InChI=1S/C24H27N5O4S/c1-29-24(27-14-6-4-3-5-7-14)34-21(28-29)16-10-11-17(22(30)31)20(26)19(16)13-8-9-15(18(25)12-13)23(32)33-2/h8-12,14H,3-7,25-26H2,1-2H3,(H,30,31)