[2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylmorpholine-4-carboximidothioate

Systemtic Name: [2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylmorpholine-4-carboximidothioate Openeye Name: [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] N-phenylmorpholine-4-carboximidothioate CAS Name: N-phenyl-4-morpholinecarboximidothioic acid [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] N-phenylmorpholine-4-carboximidothioate Traditional Name: N-phenylmorpholine-4-carboximidothioic acid [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C20H19BrN4O2S2 MolecularWeight: 491.42446

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=NC2=CC=CC=C2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

C1COCCN1C(=NC2=CC=CC=C2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C20H19BrN4O2S2/c21-14-6-7-16-17(12-14)29-19(23-16)24-18(26)13-28-20(25-8-10-27-11-9-25)22-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,23,24,26)