N-[2-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-benzamide

Systemtic Name: N-[2-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-benzamide Openeye Name: N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-benzamide CAS Name: N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]ethyl]-2-(ethylthio)benzamide IUPAC Name: N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-ethylsulfanylbenzamide Traditional Name: N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]ethyl]-2-(ethylthio)benzamide Formula: C22H25BrN4OS2 MolecularWeight: 505.4941

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NCCN2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NCCN2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C22H25BrN4OS2/c1-2-29-19-6-4-3-5-17(19)21(28)24-9-10-26-11-13-27(14-12-26)22-25-18-8-7-16(23)15-20(18)30-22/h3-8,15H,2,9-14H2,1H3,(H,24,28)