N-[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-3,4-dimethoxybenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]-3,4-dimethoxy-benzamide Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)Cl)OC

InChI

InChI=1S/C22H17ClN2O3S/c1-27-18-10-7-13(11-19(18)28-2)21(26)24-14-8-9-15(16(23)12-14)22-25-17-5-3-4-6-20(17)29-22/h3-12H,1-2H3,(H,24,26)