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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-butoxy-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-butoxy-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-butoxybenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-4-butoxy-benzamide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H23N3O2S2/c1-2-3-16-30-18-14-12-17(13-15-18)23(29)28-25(31)27-20-9-5-4-8-19(20)24-26-21-10-6-7-11-22(21)32-24/h4-15H,2-3,16H2,1H3,(H2,27,28,29,31)