isothiocyanato-[4-(morpholin-4-ylmethyl)phenyl]methanone

Systemtic Name: isothiocyanato-[4-(morpholin-4-ylmethyl)phenyl]methanone Openeye Name: 4-(morpholinomethyl)benzoyl isothiocyanate CAS Name: isothiocyanato-[4-(4-morpholinylmethyl)phenyl]methanone IUPAC Name: 4-(morpholin-4-ylmethyl)benzoyl isothiocyanate Traditional Name: isothiocyanato-[4-(morpholinomethyl)phenyl]methanone Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)C(=O)N=C=S

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)C(=O)N=C=S

InChI

InChI=1S/C13H14N2O2S/c16-13(14-10-18)12-3-1-11(2-4-12)9-15-5-7-17-8-6-15/h1-4H,5-9H2