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

Systemtic Name: butanedioic acid; 2-methyl-4-[(3S)-4-methyl-3-phenethyl-piperazin-1-yl]-10H-thieno[3,2-c][1]benzazepine Openeye Name: 2-methyl-4-[(3S)-4-methyl-3-phenethyl-piperazin-1-yl]-10H-thieno[3,2-c][1]benzazepine; succinic acid CAS Name: butanedioic acid; 2-methyl-4-[(3S)-4-methyl-3-phenethyl-1-piperazinyl]-10H-thieno[3,2-c][1]benzazepine IUPAC Name: butanedioic acid; 2-methyl-4-[(3S)-4-methyl-3-phenethylpiperazin-1-yl]-10H-thieno[3,2-c][1]benzazepine Traditional Name: 2-methyl-4-[(3S)-4-methyl-3-phenethyl-piperazino]-10H-thieno[3,2-c][1]benzazepine; succinic acid Formula: C30H35N3O4S MolecularWeight: 533.6816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H29N3S.C4H6O4/c1-19-16-23-25(30-19)17-21-10-6-7-11-24(21)27-26(23)29-15-14-28(2)22(18-29)13-12-20-8-4-3-5-9-20;5-3(6)1-2-4(7)8/h3-11,16,22H,12-15,17-18H2,1-2H3;1-2H2,(H,5,6)(H,7,8)/t22-;/m0./s1