N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: N-(2-dimethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]adamantane-1-carboxamide Formula: C23H31N3OS2 MolecularWeight: 429.64174

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3OS2/c1-25(2)6-7-26(22-24-19-5-4-18(28-3)11-20(19)29-22)21(27)23-12-15-8-16(13-23)10-17(9-15)14-23/h4-5,11,15-17H,6-10,12-14H2,1-3H3