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

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-2-[4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]propanamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-2-[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide CAS Name: N-[3-(cyclohexylthio)propyl]-2-[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-2-[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanamide Traditional Name: N-[3-(cyclohexylthio)propyl]-2-[4-(2,5-dimethylbenzyl)-3-keto-1,4-benzothiazin-2-yl]propionamide Formula: C29H38N2O2S2 MolecularWeight: 510.75422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3SC(C2=O)C(C)C(=O)NCCCSC4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3SC(C2=O)C(C)C(=O)NCCCSC4CCCCC4

InChI

InChI=1S/C29H38N2O2S2/c1-20-14-15-21(2)23(18-20)19-31-25-12-7-8-13-26(25)35-27(29(31)33)22(3)28(32)30-16-9-17-34-24-10-5-4-6-11-24/h7-8,12-15,18,22,24,27H,4-6,9-11,16-17,19H2,1-3H3,(H,30,32)