N-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[(6-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-phenyl-benzamide Formula: C21H14ClN3OS2 MolecularWeight: 423.93836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C21H14ClN3OS2/c22-16-10-11-17-18(12-16)28-21(23-17)25-20(27)24-19(26)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H2,23,24,25,26,27)