3-chloranyl-N-[(2-methylsulfanyl-1,3-benzothiazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2-methylsulfanyl-1,3-benzothiazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2-methylsulfanyl-1,3-benzothiazol-5-yl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[2-(methylthio)-1,3-benzothiazol-5-yl]amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2-methylsulfanyl-1,3-benzothiazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[2-(methylthio)-1,3-benzothiazol-5-yl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C18H12ClN3OS4 MolecularWeight: 450.02038

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=CC(=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CSC1=NC2=C(S1)C=CC(=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C18H12ClN3OS4/c1-25-18-21-11-8-9(6-7-13(11)27-18)20-17(24)22-16(23)15-14(19)10-4-2-3-5-12(10)26-15/h2-8H,1H3,(H2,20,22,23,24)