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

Systemtic Name: N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl]adamantane-1-carboxamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O3S/c1-28-16-3-2-4-17-19(16)25-21(29-17)24-18(26)5-6-23-20(27)22-10-13-7-14(11-22)9-15(8-13)12-22/h2-4,13-15H,5-12H2,1H3,(H,23,27)(H,24,25,26)