N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]coumarilamide Formula: C18H12ClN3O2S2 MolecularWeight: 401.88978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C18H12ClN3O2S2/c1-9-6-15-12(8-11(9)19)20-18(26-15)22-17(25)21-16(23)14-7-10-4-2-3-5-13(10)24-14/h2-8H,1H3,(H2,20,21,22,23,25)