2-bromanyl-N-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-bromanyl-N-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-bromo-N-[2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-bromo-N-[2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-bromo-N-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-bromo-N-[2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C22H22BrN3O2S2 MolecularWeight: 504.46298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C22H22BrN3O2S2/c23-17-9-5-4-8-16(17)21(28)25-15-10-11-18-19(12-15)30-22(26-18)29-13-20(27)24-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2,(H,24,27)(H,25,28)