2-(1,3-benzothiazol-2-ylsulfanyl)-N-ethyl-N'-(phenylmethyl)butanediamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-ethyl-N'-(phenylmethyl)butanediamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-benzyl-N-ethyl-butanediamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-ethyl-N'-(phenylmethyl)butanediamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-benzyl-N-ethylbutanediamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N'-benzyl-N-ethyl-succinamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(CC(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCNC(=O)C(CC(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3S2

InChI

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