[2,3-bis(diethylcarbamoyl)-4-oxidanyl-naphthalen-1-yl] thiocyanate

Systemtic Name: [2,3-bis(diethylcarbamoyl)-4-oxidanyl-naphthalen-1-yl] thiocyanate Openeye Name: [2,3-bis(diethylcarbamoyl)-4-hydroxy-1-naphthyl] thiocyanate CAS Name: thiocyanic acid [2,3-bis[diethylamino(oxo)methyl]-4-hydroxy-1-naphthalenyl] ester IUPAC Name: [2,3-bis(diethylcarbamoyl)-4-hydroxynaphthalen-1-yl] thiocyanate Traditional Name: thiocyanic acid [2,3-bis(diethylcarbamoyl)-4-hydroxy-1-naphthyl] ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C2=CC=CC=C2C(=C1C(=O)N(CC)CC)SC#N)O

Isomeric SMILES

CCN(CC)C(=O)C1=C(C2=CC=CC=C2C(=C1C(=O)N(CC)CC)SC#N)O

InChI

InChI=1S/C21H25N3O3S/c1-5-23(6-2)20(26)16-17(21(27)24(7-3)8-4)19(28-13-22)15-12-10-9-11-14(15)18(16)25/h9-12,25H,5-8H2,1-4H3