5-chloranyl-N-(2-diethylaminoethyl)-4-isothiocyanato-2-oxidanyl-benzamide hydrochloride

Systemtic Name: 5-chloranyl-N-(2-diethylaminoethyl)-4-isothiocyanato-2-oxidanyl-benzamide hydrochloride Openeye Name: 5-chloro-N-(2-diethylaminoethyl)-2-hydroxy-4-isothiocyanato-benzamide hydrochloride CAS Name: 5-chloro-N-(2-diethylaminoethyl)-2-hydroxy-4-isothiocyanatobenzamide hydrochloride IUPAC Name: 5-chloro-N-(2-diethylaminoethyl)-2-hydroxy-4-isothiocyanatobenzamide hydrochloride Traditional Name: 5-chloro-N-(2-diethylaminoethyl)-2-hydroxy-4-isothiocyanato-benzamide hydrochloride Formula: C14H19Cl2N3O2S MolecularWeight: 364.29056

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC(=C(C=C1O)N=C=S)Cl.Cl

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC(=C(C=C1O)N=C=S)Cl.Cl

InChI

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