(Z)-but-2-enedioic acid; 1-(3-butylbenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine

Systemtic Name: (Z)-but-2-enedioic acid; 1-(3-butylbenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Openeye Name: 1-(3-butylbenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; maleic acid CAS Name: (Z)-2-butenedioic acid; 1-(3-butyl-5-benzo[b][1]benzothiepinyl)-4-methylpiperazine IUPAC Name: (Z)-but-2-enedioic acid; 1-(3-butylbenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine Traditional Name: 1-(3-butylbenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; maleic acid Formula: C27H32N2O4S MolecularWeight: 480.61898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2N4CCN(CC4)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2N4CCN(CC4)C.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C23H28N2S.C4H4O4/c1-3-4-7-18-10-11-23-20(16-18)21(25-14-12-24(2)13-15-25)17-19-8-5-6-9-22(19)26-23;5-3(6)1-2-4(7)8/h5-6,8-11,16-17H,3-4,7,12-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-