4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[2-(isobutyrylamino)ethyl]benzamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O2S2/c1-14(2)19(25)22-11-12-23-20(26)16-9-7-15(8-10-16)13-27-21-24-17-5-3-4-6-18(17)28-21/h3-10,14H,11-13H2,1-2H3,(H,22,25)(H,23,26)