N-[4-[1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]ethyl]phenyl]propanamide

Systemtic Name: N-[4-[1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]ethyl]phenyl]propanamide Openeye Name: N-[4-[1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]ethyl]phenyl]propanamide CAS Name: N-[4-[1-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]ethyl]phenyl]propanamide IUPAC Name: N-[4-[1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]ethyl]phenyl]propanamide Traditional Name: N-[4-[1-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]ethyl]phenyl]propionamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O2S2/c1-3-18(24)22-15-10-8-14(9-11-15)13(2)21-19(25)12-26-20-23-16-6-4-5-7-17(16)27-20/h4-11,13H,3,12H2,1-2H3,(H,21,25)(H,22,24)