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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N3O2S/c1-14-4-2-5-18-20(14)26-22(29-18)25-19(27)6-3-7-24-21(28)23-11-15-8-16(12-23)10-17(9-15)13-23/h2,4-5,15-17H,3,6-13H2,1H3,(H,24,28)(H,25,26,27)