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

Systemtic Name: N-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-(2-morpholino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[(2-keto-2-morpholino-ethyl)thio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S2/c26-20(9-6-16-4-2-1-3-5-16)23-17-7-8-18-19(14-17)30-22(24-18)29-15-21(27)25-10-12-28-13-11-25/h1-5,7-8,14H,6,9-13,15H2,(H,23,26)