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

Systemtic Name: N-[2-[4-(4-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-ethylsulfanyl-benzamide Openeye Name: N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-ethylsulfanyl-benzamide CAS Name: N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]ethyl]-3-(ethylthio)benzamide IUPAC Name: N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-ethylsulfanylbenzamide Traditional Name: N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazino]ethyl]-3-(ethylthio)benzamide Formula: C22H25ClN4OS2 MolecularWeight: 461.0431

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)C(=O)NCCN2CCN(CC2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CCSC1=CC=CC(=C1)C(=O)NCCN2CCN(CC2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C22H25ClN4OS2/c1-2-29-17-6-3-5-16(15-17)21(28)24-9-10-26-11-13-27(14-12-26)22-25-20-18(23)7-4-8-19(20)30-22/h3-8,15H,2,9-14H2,1H3,(H,24,28)