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

Systemtic Name: 1-(1-bromanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; (Z)-but-2-enedioic acid Openeye Name: 1-(1-bromo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; maleic acid CAS Name: 1-(1-bromo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; (Z)-2-butenedioic acid IUPAC Name: 1-(1-bromo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; (Z)-but-2-enedioic acid Traditional Name: 1-(1-bromo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; maleic acid Formula: C23H25BrN2O4S MolecularWeight: 505.4246

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=CC=C4Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=CC=C4Br.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C19H21BrN2S.C4H4O4/c1-21-9-11-22(12-10-21)17-13-14-5-2-3-8-18(14)23-19-15(17)6-4-7-16(19)20;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-