3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 3-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-N,N-diethyl-benzamide CAS Name: 3-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-N,N-diethylbenzamide Traditional Name: 3-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]-N,N-diethyl-benzamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S2/c1-3-24(4-2)21(26)15-8-7-9-16(12-15)22-19(25)13-27-14-20-23-17-10-5-6-11-18(17)28-20/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)