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

Systemtic Name: 3-methyl-N-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3-methyl-N-[2-(2-morpholino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 3-methyl-N-[2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-methyl-N-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[(2-keto-2-morpholino-ethyl)thio]-1,3-benzothiazol-6-yl]-3-methyl-benzamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCOCC4

InChI

InChI=1S/C21H21N3O3S2/c1-14-3-2-4-15(11-14)20(26)22-16-5-6-17-18(12-16)29-21(23-17)28-13-19(25)24-7-9-27-10-8-24/h2-6,11-12H,7-10,13H2,1H3,(H,22,26)