N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide

Systemtic Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide Openeye Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide CAS Name: N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-5-(2,4-dichlorophenyl)-2-furancarboxamide IUPAC Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide Traditional Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-5-(2,4-dichlorophenyl)-2-furamide Formula: C21H14Cl2N4O3S2 MolecularWeight: 505.39686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H14Cl2N4O3S2/c1-10(28)24-12-3-5-15-18(9-12)32-21(25-15)27-20(31)26-19(29)17-7-6-16(30-17)13-4-2-11(22)8-14(13)23/h2-9H,1H3,(H,24,28)(H2,25,26,27,29,31)