4-[2-(2-dimethylaminoethylsulfanyl)quinolin-3-yl]-N,N-dimethyl-benzamide hydrochloride

Systemtic Name: 4-[2-(2-dimethylaminoethylsulfanyl)quinolin-3-yl]-N,N-dimethyl-benzamide hydrochloride Openeye Name: 4-[2-(2-dimethylaminoethylsulfanyl)-3-quinolyl]-N,N-dimethyl-benzamide hydrochloride CAS Name: 4-[2-(2-dimethylaminoethylthio)-3-quinolinyl]-N,N-dimethylbenzamide hydrochloride IUPAC Name: 4-[2-(2-dimethylaminoethylsulfanyl)quinolin-3-yl]-N,N-dimethylbenzamide hydrochloride Traditional Name: 4-[2-(2-dimethylaminoethylthio)-3-quinolyl]-N,N-dimethyl-benzamide hydrochloride Formula: C22H26ClN3OS MolecularWeight: 415.97934

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NC2=CC=CC=C2C=C1C3=CC=C(C=C3)C(=O)N(C)C.Cl

Isomeric SMILES

CN(C)CCSC1=NC2=CC=CC=C2C=C1C3=CC=C(C=C3)C(=O)N(C)C.Cl

InChI

InChI=1S/C22H25N3OS.ClH/c1-24(2)13-14-27-21-19(15-18-7-5-6-8-20(18)23-21)16-9-11-17(12-10-16)22(26)25(3)4;/h5-12,15H,13-14H2,1-4H3;1H