N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-tert-butyl-benzamide

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-tert-butyl-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-4-tert-butylbenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-4-tert-butyl-benzamide Formula: C25H23N3OS2 MolecularWeight: 445.59962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H23N3OS2/c1-25(2,3)17-14-12-16(13-15-17)22(29)28-24(30)27-19-9-5-4-8-18(19)23-26-20-10-6-7-11-21(20)31-23/h4-15H,1-3H3,(H2,27,28,29,30)