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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide Formula: C27H29N3O2S2 MolecularWeight: 491.66806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N3O2S2/c1-16-6-7-21-23(8-16)34-26(28-21)29-25(32)20-4-2-3-5-22(20)33-15-24(31)30-27-12-17-9-18(13-27)11-19(10-17)14-27/h2-8,17-19H,9-15H2,1H3,(H,30,31)(H,28,29,32)