(Z)-but-2-enedioic acid; 1-phenyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine

Systemtic Name: (Z)-but-2-enedioic acid; 1-phenyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine Openeye Name: maleic acid; 1-phenyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine CAS Name: (Z)-2-butenedioic acid; 1-phenyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine IUPAC Name: (Z)-but-2-enedioic acid; 1-phenyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine Traditional Name: maleic acid; 1-phenyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2SC1)N3CCN(CC3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(C2=CC=CC=C2SC1)N3CCN(CC3)C4=CC=CC=C4.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C20H24N2S.C4H4O4/c1-2-7-17(8-3-1)21-12-14-22(15-13-21)19-10-6-16-23-20-11-5-4-9-18(19)20;5-3(6)1-2-4(7)8/h1-5,7-9,11,19H,6,10,12-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1-