N-[2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-[2-(dimethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[[2-(dimethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[[2-(dimethylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S2/c1-23(2)19(25)13-26-20-22-16-10-9-15(12-17(16)27-20)21-18(24)11-8-14-6-4-3-5-7-14/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,21,24)