N-[2-(4-methylsulfanylphenyl)ethyl]-4-(phenylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[2-(4-methylsulfanylphenyl)ethyl]-4-(phenylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide Openeye Name: 4-benzyl-N-[2-(4-methylsulfanylphenyl)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide CAS Name: N-[2-[4-(methylthio)phenyl]ethyl]-4-(phenylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide IUPAC Name: 4-benzyl-N-[2-(4-methylsulfanylphenyl)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide Traditional Name: 4-benzyl-N-[2-[4-(methylthio)phenyl]ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide Formula: C25H26N2OS2 MolecularWeight: 434.61674

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SCCN3CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SCCN3CC4=CC=CC=C4

InChI

InChI=1S/C25H26N2OS2/c1-29-22-10-7-19(8-11-22)13-14-26-25(28)21-9-12-24-23(17-21)27(15-16-30-24)18-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3,(H,26,28)