N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-keto-ethyl]adamantane-1-carboxamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(C4=CC=C(C=C4)CN)C(=O)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(C4=CC=C(C=C4)CN)C(=O)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C27H29N3O2S/c28-15-16-5-7-20(8-6-16)23(24(31)25-29-21-3-1-2-4-22(21)33-25)30-26(32)27-12-17-9-18(13-27)11-19(10-17)14-27/h1-8,17-19,23H,9-15,28H2,(H,30,32)