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

Systemtic Name: 4-chloranyl-N-[2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-chloro-N-[2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-chloro-N-[2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-chloro-N-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-chloro-N-[2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C21H16ClN3O3S2 MolecularWeight: 457.95304

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=COC(=C1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN3O3S2/c22-14-5-3-13(4-6-14)20(27)24-15-7-8-17-18(10-15)30-21(25-17)29-12-19(26)23-11-16-2-1-9-28-16/h1-10H,11-12H2,(H,23,26)(H,24,27)