N-[6-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide

Systemtic Name: N-[6-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]-2-furamide Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4)Cl

InChI

InChI=1S/C21H16ClN3O4S/c1-12-9-14(5-6-15(12)22)29-11-19(26)23-13-4-7-16-18(10-13)30-21(24-16)25-20(27)17-3-2-8-28-17/h2-10H,11H2,1H3,(H,23,26)(H,24,25,27)