3-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]-benzyl-amino]propanamide CAS Name: 3-[[2-(4H-3,1-benzothiazin-2-ylthio)-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]-benzylamino]propanamide Traditional Name: 3-[[2-(4H-3,1-benzothiazin-2-ylthio)acetyl]-benzyl-amino]propionamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N=C(S1)SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C1C2=CC=CC=C2N=C(S1)SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S2/c21-18(24)10-11-23(12-15-6-2-1-3-7-15)19(25)14-27-20-22-17-9-5-4-8-16(17)13-26-20/h1-9H,10-14H2,(H2,21,24)