2-tert-butyl-4-(3-phenethylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine

Systemtic Name: 2-tert-butyl-4-(3-phenethylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine Openeye Name: 2-tert-butyl-4-(3-phenethylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine CAS Name: 2-tert-butyl-4-(3-phenethyl-1-piperazinyl)-5H-thieno[3,2-c][1,5]benzodiazepine IUPAC Name: 2-tert-butyl-4-(3-phenethylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine Traditional Name: 2-tert-butyl-4-(3-phenethylpiperazino)-5H-thieno[3,2-c][1,5]benzodiazepine Formula: C27H32N4S MolecularWeight: 444.63478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCNC(C4)CCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCNC(C4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H32N4S/c1-27(2,3)24-17-21-25(29-22-11-7-8-12-23(22)30-26(21)32-24)31-16-15-28-20(18-31)14-13-19-9-5-4-6-10-19/h4-12,17,20,28-29H,13-16,18H2,1-3H3