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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide Formula: C28H31N3O3S2 MolecularWeight: 521.69404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H31N3O3S2/c1-2-34-20-7-8-22-24(12-20)36-27(29-22)30-26(33)21-5-3-4-6-23(21)35-16-25(32)31-28-13-17-9-18(14-28)11-19(10-17)15-28/h3-8,12,17-19H,2,9-11,13-16H2,1H3,(H,31,32)(H,29,30,33)