N-[6-[2-(4-chlorophenyl)sulfanylethanoylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide

Systemtic Name: N-[6-[2-(4-chlorophenyl)sulfanylethanoylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-[[2-[(4-chlorophenyl)thio]acetyl]amino]-1,3-benzothiazol-2-yl]-2-furamide Formula: C20H14ClN3O3S2 MolecularWeight: 443.92646

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=COC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H14ClN3O3S2/c21-12-3-6-14(7-4-12)28-11-18(25)22-13-5-8-15-17(10-13)29-20(23-15)24-19(26)16-2-1-9-27-16/h1-10H,11H2,(H,22,25)(H,23,24,26)