5-chloranyl-3-(2-diethylaminoethyl)-4-isothiocyanato-2-oxidanyl-benzamide

Systemtic Name: 5-chloranyl-3-(2-diethylaminoethyl)-4-isothiocyanato-2-oxidanyl-benzamide Openeye Name: 5-chloro-3-(2-diethylaminoethyl)-2-hydroxy-4-isothiocyanato-benzamide CAS Name: 5-chloro-3-(2-diethylaminoethyl)-2-hydroxy-4-isothiocyanatobenzamide IUPAC Name: 5-chloro-3-(2-diethylaminoethyl)-2-hydroxy-4-isothiocyanatobenzamide Traditional Name: 5-chloro-3-(2-diethylaminoethyl)-2-hydroxy-4-isothiocyanato-benzamide Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C(C(=CC(=C1N=C=S)Cl)C(=O)N)O

Isomeric SMILES

CCN(CC)CCC1=C(C(=CC(=C1N=C=S)Cl)C(=O)N)O

InChI

InChI=1S/C14H18ClN3O2S/c1-3-18(4-2)6-5-9-12(17-8-21)11(15)7-10(13(9)19)14(16)20/h7,19H,3-6H2,1-2H3,(H2,16,20)