2-bromanyl-N-[1-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[1-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[1-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]-3-(methylthio)propyl]benzamide Formula: C21H22BrN3O2S2 MolecularWeight: 492.45228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CCSC)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CCSC)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C21H22BrN3O2S2/c1-3-13-8-9-16-18(12-13)29-21(24-16)25-20(27)17(10-11-28-2)23-19(26)14-6-4-5-7-15(14)22/h4-9,12,17H,3,10-11H2,1-2H3,(H,23,26)(H,24,25,27)