N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(2-methylphenoxy)ethanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(2-methylphenoxy)ethanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(2-methylphenoxy)acetamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]-1,3-benzothiazol-6-yl]-2-(2-methylphenoxy)acetamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]-2-(2-methylphenoxy)acetamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N

InChI

InChI=1S/C18H17N3O3S2/c1-11-4-2-3-5-14(11)24-9-17(23)20-12-6-7-13-15(8-12)26-18(21-13)25-10-16(19)22/h2-8H,9-10H2,1H3,(H2,19,22)(H,20,23)