4-[(3S)-3-phenethylpiperazin-1-yl]-2-propan-2-yl-10H-thieno[3,2-c][1]benzazepine

Systemtic Name: 4-[(3S)-3-phenethylpiperazin-1-yl]-2-propan-2-yl-10H-thieno[3,2-c][1]benzazepine Openeye Name: 2-isopropyl-4-[(3S)-3-phenethylpiperazin-1-yl]-10H-thieno[3,2-c][1]benzazepine CAS Name: 4-[(3S)-3-phenethyl-1-piperazinyl]-2-propan-2-yl-10H-thieno[3,2-c][1]benzazepine IUPAC Name: 4-[(3S)-3-phenethylpiperazin-1-yl]-2-propan-2-yl-10H-thieno[3,2-c][1]benzazepine Traditional Name: 2-isopropyl-4-[(3S)-3-phenethylpiperazino]-10H-thieno[3,2-c][1]benzazepine Formula: C27H31N3S MolecularWeight: 429.62014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(S1)CC3=CC=CC=C3N=C2N4CCNC(C4)CCC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3S/c1-19(2)25-17-23-26(31-25)16-21-10-6-7-11-24(21)29-27(23)30-15-14-28-22(18-30)13-12-20-8-4-3-5-9-20/h3-11,17,19,22,28H,12-16,18H2,1-2H3/t22-/m0/s1