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

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C22H17N3OS2 MolecularWeight: 403.51988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17N3OS2/c1-14-9-11-15(12-10-14)20(26)25-22(27)23-17-6-4-5-16(13-17)21-24-18-7-2-3-8-19(18)28-21/h2-13H,1H3,(H2,23,25,26,27)