N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N)OC

InChI

InChI=1S/C18H17N3O4S2/c1-24-13-6-3-10(7-14(13)25-2)17(23)20-11-4-5-12-15(8-11)27-18(21-12)26-9-16(19)22/h3-8H,9H2,1-2H3,(H2,19,22)(H,20,23)