N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-4-(4-phenacylpiperazin-1-yl)butanamide

Systemtic Name: N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-4-(4-phenacylpiperazin-1-yl)butanamide Openeye Name: N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-4-(4-phenacylpiperazin-1-yl)butanamide CAS Name: N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-4-(4-phenacyl-1-piperazinyl)butanamide IUPAC Name: N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-4-(4-phenacylpiperazin-1-yl)butanamide Traditional Name: N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-4-(4-phenacylpiperazino)butyramide Formula: C30H33N3O2S MolecularWeight: 499.66692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)NC2C3=CC=CC=C3CSC4=CC=CC=C24)CC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCC(=O)NC2C3=CC=CC=C3CSC4=CC=CC=C24)CC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H33N3O2S/c34-27(23-9-2-1-3-10-23)21-33-19-17-32(18-20-33)16-8-15-29(35)31-30-25-12-5-4-11-24(25)22-36-28-14-7-6-13-26(28)30/h1-7,9-14,30H,8,15-22H2,(H,31,35)