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

Systemtic Name: butanedioic acid; 2-methyl-4-[(3S)-3-phenethylpiperazin-1-yl]thieno[3,2-c][1]benzazepin-10-one Openeye Name: 2-methyl-4-[(3S)-3-phenethylpiperazin-1-yl]thieno[3,2-c][1]benzazepin-10-one; succinic acid CAS Name: butanedioic acid; 2-methyl-4-[(3S)-3-phenethyl-1-piperazinyl]-10-thieno[3,2-c][1]benzazepinone IUPAC Name: butanedioic acid; 2-methyl-4-[(3S)-3-phenethylpiperazin-1-yl]thieno[3,2-c][1]benzazepin-10-one Traditional Name: 2-methyl-4-[(3S)-3-phenethylpiperazino]thieno[3,2-c][1]benzazepin-10-one; succinic acid Formula: C29H31N3O5S MolecularWeight: 533.63854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)C(=O)C3=CC=CC=C3N=C2N4CCNC(C4)CCC5=CC=CC=C5.C(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(S1)C(=O)C3=CC=CC=C3N=C2N4CCN[C@H](C4)CCC5=CC=CC=C5.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C25H25N3OS.C4H6O4/c1-17-15-21-24(30-17)23(29)20-9-5-6-10-22(20)27-25(21)28-14-13-26-19(16-28)12-11-18-7-3-2-4-8-18;5-3(6)1-2-4(7)8/h2-10,15,19,26H,11-14,16H2,1H3;1-2H2,(H,5,6)(H,7,8)/t19-;/m0./s1