N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(4-pyridylmethyl)acetamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-benzylsulfanyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-(benzylthio)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(4-pyridylmethyl)acetamide Formula: C23H20ClN3O2S2 MolecularWeight: 470.0068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CC=NC=C3)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CC=NC=C3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C23H20ClN3O2S2/c1-29-19-8-7-18(24)22-21(19)26-23(31-22)27(13-16-9-11-25-12-10-16)20(28)15-30-14-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3