N-[2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methoxy-benzamide

Systemtic Name: N-[2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methoxy-benzamide Openeye Name: N-[2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methoxy-benzamide CAS Name: N-[2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-methoxybenzamide IUPAC Name: N-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methoxybenzamide Traditional Name: N-[2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-methoxy-benzamide Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4=CC=CO4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C22H19N3O4S2/c1-28-18-7-3-2-6-16(18)21(27)24-14-8-9-17-19(11-14)31-22(25-17)30-13-20(26)23-12-15-5-4-10-29-15/h2-11H,12-13H2,1H3,(H,23,26)(H,24,27)