N-[3-methyl-1-oxidanylidene-1-[2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)hydrazinyl]butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)hydrazinyl]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazo]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)hydrazinyl]butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)carbamoyl]propyl]adamantane-1-carboxamide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NNC(=O)C1=CC2=C(S1)CCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)NNC(=O)C1=CC2=C(S1)CCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35N3O3S/c1-14(2)21(26-24(31)25-11-15-7-16(12-25)9-17(8-15)13-25)23(30)28-27-22(29)20-10-18-5-3-4-6-19(18)32-20/h10,14-17,21H,3-9,11-13H2,1-2H3,(H,26,31)(H,27,29)(H,28,30)