2-(2-azanylidene-6-methyl-3H-1,3-benzothiazol-3-ium-3-yl)-N-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-(2-azanylidene-6-methyl-3H-1,3-benzothiazol-3-ium-3-yl)-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-(2-imino-6-methyl-3H-1,3-benzothiazol-3-ium-3-yl)acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-(2-imino-6-methyl-3H-1,3-benzothiazol-3-ium-3-yl)acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-(2-imino-6-methyl-3H-1,3-benzothiazol-3-ium-3-yl)acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-(2-imino-6-methyl-3H-1,3-benzothiazol-3-ium-3-yl)acetamide Formula: C18H20N3O3S+ MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+](C(=N)S2)CC(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+](C(=N)S2)CC(=O)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C18H19N3O3S/c1-11-4-6-13-16(8-11)25-18(19)21(13)10-17(22)20-12-5-7-14(23-2)15(9-12)24-3/h4-9,19H,10H2,1-3H3,(H,20,22)/p+1