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

Systemtic Name: N-[2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methyl-benzamide Openeye Name: N-[2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methyl-benzamide CAS Name: N-[2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-methylbenzamide IUPAC Name: N-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methylbenzamide Traditional Name: N-[2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-methyl-benzamide Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4=CC=CO4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C22H19N3O3S2/c1-14-5-2-3-7-17(14)21(27)24-15-8-9-18-19(11-15)30-22(25-18)29-13-20(26)23-12-16-6-4-10-28-16/h2-11H,12-13H2,1H3,(H,23,26)(H,24,27)