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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(6-butyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(6-butyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(6-butyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(6-butyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(6-butyl-1,3-benzothiazol-2-yl)benzamide Formula: C30H35N3O2S2 MolecularWeight: 533.7478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H35N3O2S2/c1-2-3-6-19-9-10-24-26(14-19)37-29(31-24)32-28(35)23-7-4-5-8-25(23)36-18-27(34)33-30-15-20-11-21(16-30)13-22(12-20)17-30/h4-5,7-10,14,20-22H,2-3,6,11-13,15-18H2,1H3,(H,33,34)(H,31,32,35)