2-[[2-[cyclohexyl(methyl)carbamoyl]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]methyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[cyclohexyl(methyl)carbamoyl]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]methyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-[cyclohexyl(methyl)carbamoyl]thiazolo[3,2-a]benzimidazol-7-yl]methyl-methyl-amino]acetic acid CAS Name: 2-[[2-[[cyclohexyl(methyl)amino]-oxomethyl]-7-thiazolo[3,2-a]benzimidazolyl]methyl-methylamino]acetic acid IUPAC Name: 2-[[2-[cyclohexyl(methyl)carbamoyl]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]methyl-methylamino]acetic acid Traditional Name: 2-[[2-[cyclohexyl(methyl)carbamoyl]thiazolo[3,2-a]benzimidazol-7-yl]methyl-methyl-amino]acetic acid Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)N=C3N2C=C(S3)C(=O)N(C)C4CCCCC4)CC(=O)O

Isomeric SMILES

CN(CC1=CC2=C(C=C1)N=C3N2C=C(S3)C(=O)N(C)C4CCCCC4)CC(=O)O

InChI

InChI=1S/C21H26N4O3S/c1-23(13-19(26)27)11-14-8-9-16-17(10-14)25-12-18(29-21(25)22-16)20(28)24(2)15-6-4-3-5-7-15/h8-10,12,15H,3-7,11,13H2,1-2H3,(H,26,27)