4-(3-chlorophenyl)-N-(2-diethylaminoethyl)piperazine-1-carbothioamide; ethanedioic acid

Systemtic Name: 4-(3-chlorophenyl)-N-(2-diethylaminoethyl)piperazine-1-carbothioamide; ethanedioic acid Openeye Name: 4-(3-chlorophenyl)-N-(2-diethylaminoethyl)piperazine-1-carbothioamide; oxalic acid CAS Name: 4-(3-chlorophenyl)-N-(2-diethylaminoethyl)-1-piperazinecarbothioamide; oxalic acid IUPAC Name: 4-(3-chlorophenyl)-N-(2-diethylaminoethyl)piperazine-1-carbothioamide; oxalic acid Traditional Name: 4-(3-chlorophenyl)-N-(2-diethylaminoethyl)piperazine-1-carbothioamide; oxalic acid Formula: C19H29ClN4O4S MolecularWeight: 444.97596

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=S)N1CCN(CC1)C2=CC(=CC=C2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCNC(=S)N1CCN(CC1)C2=CC(=CC=C2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27ClN4S.C2H2O4/c1-3-20(4-2)9-8-19-17(23)22-12-10-21(11-13-22)16-7-5-6-15(18)14-16;3-1(4)2(5)6/h5-7,14H,3-4,8-13H2,1-2H3,(H,19,23);(H,3,4)(H,5,6)