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

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

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C(CCSC)NC(=O)C3=CC=CC=C3Br)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C(CCSC)NC(=O)C3=CC=CC=C3Br)C

InChI

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