3-(1,3-benzothiazol-2-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-cyanophenyl)methylthio]ethyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-cyanobenzyl)thio]ethyl]propionamide Formula: C20H19N3OS2 MolecularWeight: 381.51436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)CCC2=NC3=CC=CC=C3S2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)CCC2=NC3=CC=CC=C3S2)C#N

InChI

InChI=1S/C20H19N3OS2/c21-13-15-5-1-2-6-16(15)14-25-12-11-22-19(24)9-10-20-23-17-7-3-4-8-18(17)26-20/h1-8H,9-12,14H2,(H,22,24)