N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-phenylsulfanyl-propanamide Openeye Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-(phenylthio)propanamide IUPAC Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide Traditional Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylthio)propionamide Formula: C25H24N2OS2 MolecularWeight: 432.60086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=CC=C4)C

InChI

InChI=1S/C25H24N2OS2/c1-18-13-14-22-24(19(18)2)26-25(30-22)27(17-20-9-5-3-6-10-20)23(28)15-16-29-21-11-7-4-8-12-21/h3-14H,15-17H2,1-2H3