N-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(1-adamantylamino)-2-oxo-ethyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[2-(1-adamantylamino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(1-adamantylamino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(1-adamantylamino)-2-keto-ethyl]-3-chloro-benzothiophene-2-carboxamide Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CNC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CNC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C21H23ClN2O2S/c22-18-15-3-1-2-4-16(15)27-19(18)20(26)23-11-17(25)24-21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,12-14H,5-11H2,(H,23,26)(H,24,25)