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

Systemtic Name: butanedioic acid; 2-methyl-4-[(3S)-4-methyl-3-phenethyl-piperazin-1-yl]thieno[3,2-c][1]benzazepin-10-one Openeye Name: 2-methyl-4-[(3S)-4-methyl-3-phenethyl-piperazin-1-yl]thieno[3,2-c][1]benzazepin-10-one; succinic acid CAS Name: butanedioic acid; 2-methyl-4-[(3S)-4-methyl-3-phenethyl-1-piperazinyl]-10-thieno[3,2-c][1]benzazepinone IUPAC Name: butanedioic acid; 2-methyl-4-[(3S)-4-methyl-3-phenethylpiperazin-1-yl]thieno[3,2-c][1]benzazepin-10-one Traditional Name: 2-methyl-4-[(3S)-4-methyl-3-phenethyl-piperazino]thieno[3,2-c][1]benzazepin-10-one; succinic acid Formula: C30H33N3O5S MolecularWeight: 547.66512

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H27N3OS.C4H6O4/c1-18-16-22-25(31-18)24(30)21-10-6-7-11-23(21)27-26(22)29-15-14-28(2)20(17-29)13-12-19-8-4-3-5-9-19;5-3(6)1-2-4(7)8/h3-11,16,20H,12-15,17H2,1-2H3;1-2H2,(H,5,6)(H,7,8)/t20-;/m0./s1