N-(3-butylsulfanylpropyl)-2-[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]propanamide

Systemtic Name: N-(3-butylsulfanylpropyl)-2-[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]propanamide Openeye Name: N-(3-butylsulfanylpropyl)-2-[3-oxo-4-(p-tolylmethyl)-1,4-benzothiazin-2-yl]propanamide CAS Name: N-[3-(butylthio)propyl]-2-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide IUPAC Name: N-(3-butylsulfanylpropyl)-2-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide Traditional Name: N-[3-(butylthio)propyl]-2-[3-keto-4-(4-methylbenzyl)-1,4-benzothiazin-2-yl]propionamide Formula: C26H34N2O2S2 MolecularWeight: 470.69036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)C(C)C1C(=O)N(C2=CC=CC=C2S1)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCCSCCCNC(=O)C(C)C1C(=O)N(C2=CC=CC=C2S1)CC3=CC=C(C=C3)C

InChI

InChI=1S/C26H34N2O2S2/c1-4-5-16-31-17-8-15-27-25(29)20(3)24-26(30)28(18-21-13-11-19(2)12-14-21)22-9-6-7-10-23(22)32-24/h6-7,9-14,20,24H,4-5,8,15-18H2,1-3H3,(H,27,29)