2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-oxidanylidene-3-[(phenylmethyl)amino]propanoate; cyclohexylazanium

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-oxidanylidene-3-[(phenylmethyl)amino]propanoate; cyclohexylazanium Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(benzylamino)-3-oxo-propanoate; cyclohexylammonium CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-oxo-3-[(phenylmethyl)amino]propanoate; cyclohexylammonium IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(benzylamino)-3-oxopropanoate; cyclohexylazanium Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-(benzylamino)-3-keto-propionate; cyclohexylammonium Formula: C24H29N3O3S2 MolecularWeight: 471.63536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH3+].C1=CC=C(C=C1)CNC(=O)C(CSC2=NC3=CC=CC=C3S2)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH3+].C1=CC=C(C=C1)CNC(=O)C(CSC2=NC3=CC=CC=C3S2)C(=O)[O-]

InChI

InChI=1S/C18H16N2O3S2.C6H13N/c21-16(19-10-12-6-2-1-3-7-12)13(17(22)23)11-24-18-20-14-8-4-5-9-15(14)25-18;7-6-4-2-1-3-5-6/h1-9,13H,10-11H2,(H,19,21)(H,22,23);6H,1-5,7H2