N-(2-diethylaminoethyl)-4-isothiocyanato-benzamide

Systemtic Name: N-(2-diethylaminoethyl)-4-isothiocyanato-benzamide Openeye Name: N-(2-diethylaminoethyl)-4-isothiocyanato-benzamide CAS Name: N-(2-diethylaminoethyl)-4-isothiocyanatobenzamide IUPAC Name: N-(2-diethylaminoethyl)-4-isothiocyanatobenzamide Traditional Name: N-(2-diethylaminoethyl)-4-isothiocyanato-benzamide Formula: C14H19N3OS MolecularWeight: 277.38516

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)N=C=S

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)N=C=S

InChI

InChI=1S/C14H19N3OS/c1-3-17(4-2)10-9-15-14(18)12-5-7-13(8-6-12)16-11-19/h5-8H,3-4,9-10H2,1-2H3,(H,15,18)