N-[4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-keto-butyl]adamantane-1-carboxamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31N3O2S/c1-27(15-21-26-19-5-2-3-6-20(19)30-21)22(28)7-4-8-25-23(29)24-12-16-9-17(13-24)11-18(10-16)14-24/h2-3,5-6,16-18H,4,7-15H2,1H3,(H,25,29)