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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-13-5-14(2)20-18(6-13)29-22(26-20)25-19(27)3-4-24-21(28)23-10-15-7-16(11-23)9-17(8-15)12-23/h5-6,15-17H,3-4,7-12H2,1-2H3,(H,24,28)(H,25,26,27)