(Z)-but-2-enedioic acid; 1-methyl-4-(6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine

Systemtic Name: (Z)-but-2-enedioic acid; 1-methyl-4-(6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Openeye Name: maleic acid; 1-methyl-4-(6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine CAS Name: (Z)-2-butenedioic acid; 1-methyl-4-(6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine IUPAC Name: (Z)-but-2-enedioic acid; 1-methyl-4-(6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Traditional Name: maleic acid; 1-methyl-4-(6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=CC=CC=C2SC3=CC=CC=C13)N4CCN(CC4)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1C(C2=CC=CC=C2SC3=CC=CC=C13)N4CCN(CC4)C.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C20H24N2S.C4H4O4/c1-15-16-7-3-5-9-18(16)23-19-10-6-4-8-17(19)20(15)22-13-11-21(2)12-14-22;5-3(6)1-2-4(7)8/h3-10,15,20H,11-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-