N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-oxidanylidene-1,4-benzothiazine-4-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-oxidanylidene-1,4-benzothiazine-4-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-oxo-1,4-benzothiazine-4-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-oxo-1,4-benzothiazine-4-carbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-3-oxo-1,4-benzothiazine-4-carbothioamide Traditional Name: N-homoveratryl-3-keto-7-methyl-1,4-benzothiazine-4-carbothioamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)CS2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)CS2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H22N2O3S2/c1-13-4-6-15-18(10-13)27-12-19(23)22(15)20(26)21-9-8-14-5-7-16(24-2)17(11-14)25-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,26)