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

Systemtic Name: (Z)-but-2-enedioic acid; 1-(1-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine Openeye Name: 1-(1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine; maleic acid CAS Name: (Z)-2-butenedioic acid; 1-(1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine IUPAC Name: (Z)-but-2-enedioic acid; 1-(1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine Traditional Name: 1-(1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine; maleic acid Formula: C23H25ClN2O4S MolecularWeight: 460.9736

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=C(C(=CC=C3)Cl)SC4=CC=CC=C24.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2CC3=C(C(=CC=C3)Cl)SC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C19H21ClN2S.C4H4O4/c1-21-9-11-22(12-10-21)17-13-14-5-4-7-16(20)19(14)23-18-8-3-2-6-15(17)18;5-3(6)1-2-4(7)8/h2-8,17H,9-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-