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

Systemtic Name: butanedioic acid; 4-[(3S)-4-methyl-3-phenethyl-piperazin-1-yl]-2-propan-2-yl-10H-thieno[3,2-c][1]benzazepine Openeye Name: 2-isopropyl-4-[(3S)-4-methyl-3-phenethyl-piperazin-1-yl]-10H-thieno[3,2-c][1]benzazepine; succinic acid CAS Name: butanedioic acid; 4-[(3S)-4-methyl-3-phenethyl-1-piperazinyl]-2-propan-2-yl-10H-thieno[3,2-c][1]benzazepine IUPAC Name: butanedioic acid; 4-[(3S)-4-methyl-3-phenethylpiperazin-1-yl]-2-propan-2-yl-10H-thieno[3,2-c][1]benzazepine Traditional Name: 2-isopropyl-4-[(3S)-4-methyl-3-phenethyl-piperazino]-10H-thieno[3,2-c][1]benzazepine; succinic acid Formula: C32H39N3O4S MolecularWeight: 561.73476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(S1)CC3=CC=CC=C3N=C2N4CCN(C(C4)CCC5=CC=CC=C5)C.C(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1=CC2=C(S1)CC3=CC=CC=C3N=C2N4CCN([C@H](C4)CCC5=CC=CC=C5)C.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C28H33N3S.C4H6O4/c1-20(2)26-18-24-27(32-26)17-22-11-7-8-12-25(22)29-28(24)31-16-15-30(3)23(19-31)14-13-21-9-5-4-6-10-21;5-3(6)1-2-4(7)8/h4-12,18,20,23H,13-17,19H2,1-3H3;1-2H2,(H,5,6)(H,7,8)/t23-;/m0./s1