N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)benzamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)benzamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-thienylmethylsulfanyl)benzamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylmethylthio)benzamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)benzamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-thenylthio)benzamide Formula: C21H17N3O2S3 MolecularWeight: 439.57358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3SCC4=CC=CS4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3SCC4=CC=CS4

InChI

InChI=1S/C21H17N3O2S3/c1-13(25)22-14-8-9-17-19(11-14)29-21(23-17)24-20(26)16-6-2-3-7-18(16)28-12-15-5-4-10-27-15/h2-11H,12H2,1H3,(H,22,25)(H,23,24,26)