3-(2-oxidanylidenechromen-3-yl)-N-[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]benzamide

Systemtic Name: 3-(2-oxidanylidenechromen-3-yl)-N-[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]benzamide Openeye Name: 3-(2-oxochromen-3-yl)-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide CAS Name: 3-(2-oxo-1-benzopyran-3-yl)-N-[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: 3-(2-oxochromen-3-yl)-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 3-(2-ketochromen-3-yl)-N-[4-[4-(2-thenoyl)piperazino]phenyl]benzamide Formula: C31H25N3O4S MolecularWeight: 535.6129

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O)C(=O)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O)C(=O)C6=CC=CS6

InChI

InChI=1S/C31H25N3O4S/c35-29(23-7-3-6-21(19-23)26-20-22-5-1-2-8-27(22)38-31(26)37)32-24-10-12-25(13-11-24)33-14-16-34(17-15-33)30(36)28-9-4-18-39-28/h1-13,18-20H,14-17H2,(H,32,35)