3-morpholin-4-yl-N-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-sulfanylidene-propanamide

Systemtic Name: 3-morpholin-4-yl-N-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-sulfanylidene-propanamide Openeye Name: N-[2-(2-anilino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-morpholino-3-thioxo-propanamide CAS Name: N-[2-[(2-anilino-2-oxoethyl)thio]-1,3-benzothiazol-6-yl]-3-(4-morpholinyl)-3-sulfanylidenepropanamide IUPAC Name: N-[2-(2-anilino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-morpholin-4-yl-3-sulfanylidenepropanamide Traditional Name: N-[2-[(2-anilino-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]-3-morpholino-3-thioxo-propionamide Formula: C22H22N4O3S3 MolecularWeight: 486.63008

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=S)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S3/c27-19(13-21(30)26-8-10-29-11-9-26)24-16-6-7-17-18(12-16)32-22(25-17)31-14-20(28)23-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,23,28)(H,24,27)