N-(3-butylsulfanylpropyl)-2-[4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]propanamide

Systemtic Name: N-(3-butylsulfanylpropyl)-2-[4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]propanamide Openeye Name: N-(3-butylsulfanylpropyl)-2-[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide CAS Name: N-[3-(butylthio)propyl]-2-[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide IUPAC Name: N-(3-butylsulfanylpropyl)-2-[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide Traditional Name: N-[3-(butylthio)propyl]-2-[4-(2,5-dimethylbenzyl)-3-keto-1,4-benzothiazin-2-yl]propionamide Formula: C27H36N2O2S2 MolecularWeight: 484.71694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O2S2/c1-5-6-15-32-16-9-14-28-26(30)21(4)25-27(31)29(23-10-7-8-11-24(23)33-25)18-22-17-19(2)12-13-20(22)3/h7-8,10-13,17,21,25H,5-6,9,14-16,18H2,1-4H3,(H,28,30)