N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide

Systemtic Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide Openeye Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide CAS Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide IUPAC Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide Traditional Name: N-[4-(diethylaminomethyl)benzyl]-2-[(2S)-3-keto-4H-1,4-benzothiazin-2-yl]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC(=O)CC2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C[C@H]2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C22H27N3O2S/c1-3-25(4-2)15-17-11-9-16(10-12-17)14-23-21(26)13-20-22(27)24-18-7-5-6-8-19(18)28-20/h5-12,20H,3-4,13-15H2,1-2H3,(H,23,26)(H,24,27)/t20-/m0/s1