2-chloranyl-N-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamothioyl]benzamide

Systemtic Name: 2-chloranyl-N-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamothioyl]benzamide Openeye Name: N-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-chloro-benzamide CAS Name: 2-chloro-N-[[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-chlorobenzamide Traditional Name: N-[[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thiocarbamoyl]-2-chloro-benzamide Formula: C17H13ClN4OS3 MolecularWeight: 420.95932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=S)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=S)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C17H13ClN4OS3/c18-13-9-5-4-8-12(13)14(23)19-15(24)20-16-21-22-17(26-16)25-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,19,20,21,23,24)