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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

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