2-bromanyl-4-(phenylmethyl)-6-[[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 2-bromanyl-4-(phenylmethyl)-6-[[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-benzyl-2-bromo-6-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]anilino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-bromo-6-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]methylidene]-4-(phenylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: 4-benzyl-2-bromo-6-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]anilino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-benzyl-2-bromo-6-[[4-[4-(2-thenoyl)piperazino]anilino]methylene]cyclohexa-2,4-dien-1-one Formula: C29H26BrN3O2S MolecularWeight: 560.50464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC=C3C=C(C=C(C3=O)Br)CC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC=C3C=C(C=C(C3=O)Br)CC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C29H26BrN3O2S/c30-26-19-22(17-21-5-2-1-3-6-21)18-23(28(26)34)20-31-24-8-10-25(11-9-24)32-12-14-33(15-13-32)29(35)27-7-4-16-36-27/h1-11,16,18-20,31H,12-15,17H2