(Z)-but-2-enedioic acid; 1-(2-dimethylaminoethyl)-3-[4-(2-dimethylaminoethylcarbamothioylamino)piperazin-1-yl]thiourea

Systemtic Name: (Z)-but-2-enedioic acid; 1-(2-dimethylaminoethyl)-3-[4-(2-dimethylaminoethylcarbamothioylamino)piperazin-1-yl]thiourea Openeye Name: 1-(2-dimethylaminoethyl)-3-[4-(2-dimethylaminoethylcarbamothioylamino)piperazin-1-yl]thiourea; maleic acid CAS Name: (Z)-2-butenedioic acid; 1-(2-dimethylaminoethyl)-3-[4-[[(2-dimethylaminoethylamino)-sulfanylidenemethyl]amino]-1-piperazinyl]thiourea IUPAC Name: (Z)-but-2-enedioic acid; 1-(2-dimethylaminoethyl)-3-[4-(2-dimethylaminoethylcarbamothioylamino)piperazin-1-yl]thiourea Traditional Name: 1-(2-dimethylaminoethyl)-3-[4-(2-dimethylaminoethylthiocarbamoylamino)piperazino]thiourea; maleic acid Formula: C22H40N8O8S2 MolecularWeight: 608.7318

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)NN1CCN(CC1)NC(=S)NCCN(C)C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCNC(=S)NN1CCN(CC1)NC(=S)NCCN(C)C)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C14H32N8S2.2C4H4O4/c1-19(2)7-5-15-13(23)17-21-9-11-22(12-10-21)18-14(24)16-6-8-20(3)4;2*5-3(6)1-2-4(7)8/h5-12H2,1-4H3,(H2,15,17,23)(H2,16,18,24);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-