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

Systemtic Name: 3-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoyl-(4-methoxyphenyl)amino]propanamide Openeye Name: 3-(N-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]-4-methoxy-anilino)propanamide CAS Name: 3-(N-[2-(4H-3,1-benzothiazin-2-ylthio)-1-oxoethyl]-4-methoxyanilino)propanamide IUPAC Name: 3-(N-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]-4-methoxyanilino)propanamide Traditional Name: 3-(N-[2-(4H-3,1-benzothiazin-2-ylthio)acetyl]-4-methoxy-anilino)propionamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCC(=O)N)C(=O)CSC2=NC3=CC=CC=C3CS2

Isomeric SMILES

COC1=CC=C(C=C1)N(CCC(=O)N)C(=O)CSC2=NC3=CC=CC=C3CS2

InChI

InChI=1S/C20H21N3O3S2/c1-26-16-8-6-15(7-9-16)23(11-10-18(21)24)19(25)13-28-20-22-17-5-3-2-4-14(17)12-27-20/h2-9H,10-13H2,1H3,(H2,21,24)