N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(3-pyridylmethyl)propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenylthio)-N-(3-pyridinylmethyl)propanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenylthio)-N-(3-pyridylmethyl)propionamide Formula: C23H21N3OS2 MolecularWeight: 419.56234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C23H21N3OS2/c1-17-9-10-20-21(14-17)29-23(25-20)26(16-18-6-5-12-24-15-18)22(27)11-13-28-19-7-3-2-4-8-19/h2-10,12,14-15H,11,13,16H2,1H3