N-[4-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[(2-methyl-1,3-benzothiazol-6-yl)amino]butyl]adamantane-1-carboxamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N3O2S/c1-14-25-19-5-4-18(10-20(19)29-14)26-21(27)3-2-6-24-22(28)23-11-15-7-16(12-23)9-17(8-15)13-23/h4-5,10,15-17H,2-3,6-9,11-13H2,1H3,(H,24,28)(H,26,27)