butanedioic acid; 2-methyl-4-[(3S)-3-phenethylpiperazin-1-yl]-10H-thieno[3,2-c][1]benzazepine

Systemtic Name: butanedioic acid; 2-methyl-4-[(3S)-3-phenethylpiperazin-1-yl]-10H-thieno[3,2-c][1]benzazepine Openeye Name: 2-methyl-4-[(3S)-3-phenethylpiperazin-1-yl]-10H-thieno[3,2-c][1]benzazepine; succinic acid CAS Name: butanedioic acid; 2-methyl-4-[(3S)-3-phenethyl-1-piperazinyl]-10H-thieno[3,2-c][1]benzazepine IUPAC Name: butanedioic acid; 2-methyl-4-[(3S)-3-phenethylpiperazin-1-yl]-10H-thieno[3,2-c][1]benzazepine Traditional Name: 2-methyl-4-[(3S)-3-phenethylpiperazino]-10H-thieno[3,2-c][1]benzazepine; succinic acid Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)CC3=CC=CC=C3N=C2N4CCNC(C4)CCC5=CC=CC=C5.C(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(S1)CC3=CC=CC=C3N=C2N4CCN[C@H](C4)CCC5=CC=CC=C5.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C25H27N3S.C4H6O4/c1-18-15-22-24(29-18)16-20-9-5-6-10-23(20)27-25(22)28-14-13-26-21(17-28)12-11-19-7-3-2-4-8-19;5-3(6)1-2-4(7)8/h2-10,15,21,26H,11-14,16-17H2,1H3;1-2H2,(H,5,6)(H,7,8)/t21-;/m0./s1