2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-N-(2-methoxyethyl)ethanamide

Systemtic Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-N-(2-methoxyethyl)acetamide CAS Name: 2-[[2-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]thio]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-N-(2-methoxyethyl)acetamide Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thio]-N-(2-methoxyethyl)acetamide Formula: C24H29N4O3S2+ MolecularWeight: 485.64206

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COCCNC(=O)CSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H28N4O3S2/c1-31-15-10-25-22(29)17-32-20-8-4-2-6-18(20)24(30)28-13-11-27(12-14-28)16-23-26-19-7-3-5-9-21(19)33-23/h2-9H,10-17H2,1H3,(H,25,29)/p+1