2-[2-(dicyclohexylcarbamoylamino)-1,3-benzothiazol-6-yl]ethanoic acid

Systemtic Name: 2-[2-(dicyclohexylcarbamoylamino)-1,3-benzothiazol-6-yl]ethanoic acid Openeye Name: 2-[2-(dicyclohexylcarbamoylamino)-1,3-benzothiazol-6-yl]acetic acid CAS Name: 2-[2-[[(dicyclohexylamino)-oxomethyl]amino]-1,3-benzothiazol-6-yl]acetic acid IUPAC Name: 2-[2-(dicyclohexylcarbamoylamino)-1,3-benzothiazol-6-yl]acetic acid Traditional Name: 2-[2-(dicyclohexylcarbamoylamino)-1,3-benzothiazol-6-yl]acetic acid Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)CC(=O)O

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)CC(=O)O

InChI

InChI=1S/C22H29N3O3S/c26-20(27)14-15-11-12-18-19(13-15)29-21(23-18)24-22(28)25(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11-13,16-17H,1-10,14H2,(H,26,27)(H,23,24,28)