[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone

Systemtic Name: [4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone Openeye Name: [4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidyl]-(2,5-dimethoxyphenyl)methanone CAS Name: [4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidinyl]-(2,5-dimethoxyphenyl)methanone IUPAC Name: [4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone Traditional Name: [4-(5-chloro-1,3-benzothiazol-2-yl)piperidino]-(2,5-dimethoxyphenyl)methanone Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)N2CCC(CC2)C3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)N2CCC(CC2)C3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-26-15-4-5-18(27-2)16(12-15)21(25)24-9-7-13(8-10-24)20-23-17-11-14(22)3-6-19(17)28-20/h3-6,11-13H,7-10H2,1-2H3