2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(diethylaminomethyl)phenyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(diethylaminomethyl)phenyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(diethylaminomethyl)phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[3-(diethylaminomethyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(diethylaminomethyl)phenyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[3-(diethylaminomethyl)phenyl]acetamide Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC(=CC=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)CC1=CC(=CC=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H25N3OS2/c1-3-24(4-2)13-16-8-7-9-17(12-16)22-20(25)14-26-15-21-23-18-10-5-6-11-19(18)27-21/h5-12H,3-4,13-15H2,1-2H3,(H,22,25)