N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-(3-keto-1,4-benzothiazin-4-yl)propionamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H21N3O2S2/c22-13-16-5-1-2-6-17(16)14-27-12-10-23-20(25)9-11-24-18-7-3-4-8-19(18)28-15-21(24)26/h1-8H,9-12,14-15H2,(H,23,25)