N-[4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-[4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide Openeye Name: N-[4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide CAS Name: N-[4-[[[4-(methylthio)phenyl]methylamino]-oxomethyl]phenyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide Traditional Name: N-[4-[[4-(methylthio)benzyl]carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide Formula: C23H19N3O2S2 MolecularWeight: 433.54586

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=NSC4=CC=CC=C43

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C23H19N3O2S2/c1-29-18-12-6-15(7-13-18)14-24-22(27)16-8-10-17(11-9-16)25-23(28)21-19-4-2-3-5-20(19)30-26-21/h2-13H,14H2,1H3,(H,24,27)(H,25,28)