N-(2-dimethylaminoethyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide; ethanedioic acid

Systemtic Name: N-(2-dimethylaminoethyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide; ethanedioic acid Openeye Name: N-(2-dimethylaminoethyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide; oxalic acid CAS Name: N-(2-dimethylaminoethyl)-4-(2-methoxyphenyl)-1-piperazinecarbothioamide; oxalic acid IUPAC Name: N-(2-dimethylaminoethyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide; oxalic acid Traditional Name: N-(2-dimethylaminoethyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide; oxalic acid Formula: C18H28N4O5S MolecularWeight: 412.50372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)N1CCN(CC1)C2=CC=CC=C2OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCNC(=S)N1CCN(CC1)C2=CC=CC=C2OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H26N4OS.C2H2O4/c1-18(2)9-8-17-16(22)20-12-10-19(11-13-20)14-6-4-5-7-15(14)21-3;3-1(4)2(5)6/h4-7H,8-13H2,1-3H3,(H,17,22);(H,3,4)(H,5,6)