N-[[2-(phenylcarbonylcarbamothioylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide

Systemtic Name: N-[[2-(phenylcarbonylcarbamothioylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Openeye Name: N-[[2-(benzoylcarbamothioylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide CAS Name: N-[[[2-[[benzamido(sulfanylidene)methyl]amino]-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(benzoylcarbamothioylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Traditional Name: N-[[2-(benzoylthiocarbamoylamino)-1,3-benzothiazol-6-yl]thiocarbamoyl]benzamide Formula: C23H17N5O2S3 MolecularWeight: 491.60838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H17N5O2S3/c29-19(14-7-3-1-4-8-14)26-21(31)24-16-11-12-17-18(13-16)33-23(25-17)28-22(32)27-20(30)15-9-5-2-6-10-15/h1-13H,(H2,24,26,29,31)(H2,25,27,28,30,32)