3-butyl-10-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoyl]-1-propan-2-yl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

Systemtic Name: 3-butyl-10-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoyl]-1-propan-2-yl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Openeye Name: 10-[2-(4-benzylpiperazin-1-yl)acetyl]-3-butyl-1-isopropyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one CAS Name: 3-butyl-10-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1-propan-2-yl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one IUPAC Name: 10-[2-(4-benzylpiperazin-1-yl)acetyl]-3-butyl-1-propan-2-yl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Traditional Name: 10-[2-(4-benzylpiperazino)acetyl]-3-butyl-1-isopropyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Formula: C31H38N4O2S MolecularWeight: 530.72402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=C(S1)C(C)C)N(C3=CC=CC=C3NC2=O)C(=O)CN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCCC1=C2C(=C(S1)C(C)C)N(C3=CC=CC=C3NC2=O)C(=O)CN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H38N4O2S/c1-4-5-15-26-28-29(30(38-26)22(2)3)35(25-14-10-9-13-24(25)32-31(28)37)27(36)21-34-18-16-33(17-19-34)20-23-11-7-6-8-12-23/h6-14,22H,4-5,15-21H2,1-3H3,(H,32,37)