2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-[ethyl(isopropyl)amino]phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[4-[ethyl(isopropyl)amino]phenyl]acetamide Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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