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

Systemtic Name: N-[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[[2-(benzylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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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)NCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S2/c29-23(14-11-18-7-3-1-4-8-18)27-20-12-13-21-22(15-20)32-25(28-21)31-17-24(30)26-16-19-9-5-2-6-10-19/h1-10,12-13,15H,11,14,16-17H2,(H,26,30)(H,27,29)