4-chloranyl-N-[5-(diethylamino)pentan-2-yl]-2-nitro-benzenecarbothioamide hydrochloride

Systemtic Name: 4-chloranyl-N-[5-(diethylamino)pentan-2-yl]-2-nitro-benzenecarbothioamide hydrochloride Openeye Name: 4-chloro-N-[4-(diethylamino)-1-methyl-butyl]-2-nitro-benzenecarbothioamide hydrochloride CAS Name: 4-chloro-N-[5-(diethylamino)pentan-2-yl]-2-nitrobenzenecarbothioamide hydrochloride IUPAC Name: 4-chloro-N-[5-(diethylamino)pentan-2-yl]-2-nitrobenzenecarbothioamide hydrochloride Traditional Name: 4-chloro-N-[4-(diethylamino)-1-methyl-butyl]-2-nitro-thiobenzamide hydrochloride Formula: C16H25Cl2N3O2S MolecularWeight: 394.3596

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC(=S)C1=C(C=C(C=C1)Cl)[N+](=O)[O-].Cl

Isomeric SMILES

CCN(CC)CCCC(C)NC(=S)C1=C(C=C(C=C1)Cl)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H24ClN3O2S.ClH/c1-4-19(5-2)10-6-7-12(3)18-16(23)14-9-8-13(17)11-15(14)20(21)22;/h8-9,11-12H,4-7,10H2,1-3H3,(H,18,23);1H