N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-4-phenyl-benzamide Formula: C23H16ClN3O2S2 MolecularWeight: 465.97504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H16ClN3O2S2/c24-19-17-8-4-5-9-18(17)31-20(19)22(29)26-27-23(30)25-21(28)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,26,29)(H2,25,27,28,30)