5-(3-chloranyl-4-methyl-phenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-chloro-4-methyl-phenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-chloro-4-methylphenyl)-N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chloro-4-methylphenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-chloro-4-methyl-phenyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-furamide Formula: C22H18ClN3O4S2 MolecularWeight: 487.97902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=NC4=C(C=C(C=C4S3)OC)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=NC4=C(C=C(C=C4S3)OC)OC)Cl

InChI

InChI=1S/C22H18ClN3O4S2/c1-11-4-5-12(8-14(11)23)15-6-7-16(30-15)20(27)25-21(31)26-22-24-19-17(29-3)9-13(28-2)10-18(19)32-22/h4-10H,1-3H3,(H2,24,25,26,27,31)