N-[3-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]amino]phenyl]adamantane-1-carboxamide Formula: C26H26ClN3O2S2 MolecularWeight: 512.08654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC=C4)NC(=O)CSC5=NC6=C(S5)C=CC(=C6)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC=C4)NC(=O)CSC5=NC6=C(S5)C=CC(=C6)Cl

InChI

InChI=1S/C26H26ClN3O2S2/c27-18-4-5-22-21(9-18)30-25(34-22)33-14-23(31)28-19-2-1-3-20(10-19)29-24(32)26-11-15-6-16(12-26)8-17(7-15)13-26/h1-5,9-10,15-17H,6-8,11-14H2,(H,28,31)(H,29,32)