3-(4-chlorophenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide Openeye Name: 3-(4-chlorophenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propanamide CAS Name: 3-[(4-chlorophenyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)propanamide IUPAC Name: 3-(4-chlorophenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide Traditional Name: 3-[(4-chlorophenyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)propionamide Formula: C23H20ClN3OS2 MolecularWeight: 454.0074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H20ClN3OS2/c1-16-5-10-20-21(14-16)30-23(26-20)27(15-18-4-2-3-12-25-18)22(28)11-13-29-19-8-6-17(24)7-9-19/h2-10,12,14H,11,13,15H2,1H3