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

Systemtic Name: N-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-(2-anilino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[(2-anilino-2-oxoethyl)thio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-(2-anilino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[(2-anilino-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C24H21N3O2S2 MolecularWeight: 447.57244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O2S2/c28-22(14-11-17-7-3-1-4-8-17)26-19-12-13-20-21(15-19)31-24(27-20)30-16-23(29)25-18-9-5-2-6-10-18/h1-10,12-13,15H,11,14,16H2,(H,25,29)(H,26,28)