2-[[6-[(1-methylpiperidin-3-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[(1-methylpiperidin-3-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[(1-methylpiperidine-3-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[(1-methyl-3-piperidinyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[(1-methylpiperidine-3-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[(1-methylnipecotoyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN(C3)C

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN(C3)C

InChI

InChI=1S/C18H23N3O3S2/c1-12(22)24-8-9-25-18-20-15-6-5-14(10-16(15)26-18)19-17(23)13-4-3-7-21(2)11-13/h5-6,10,13H,3-4,7-9,11H2,1-2H3,(H,19,23)