4-(3-butylphenyl)-5-(methylamino)-2-phenyl-thiophen-3-one

Systemtic Name: 4-(3-butylphenyl)-5-(methylamino)-2-phenyl-thiophen-3-one Openeye Name: 4-(3-butylphenyl)-5-(methylamino)-2-phenyl-thiophen-3-one CAS Name: 4-(3-butylphenyl)-5-(methylamino)-2-phenyl-3-thiophenone IUPAC Name: 4-(3-butylphenyl)-5-(methylamino)-2-phenylthiophen-3-one Traditional Name: 4-(3-butylphenyl)-5-(methylamino)-2-phenyl-thiophen-3-one Formula: C21H23NOS MolecularWeight: 337.47842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)C2=C(SC(C2=O)C3=CC=CC=C3)NC

Isomeric SMILES

CCCCC1=CC=CC(=C1)C2=C(SC(C2=O)C3=CC=CC=C3)NC

InChI

InChI=1S/C21H23NOS/c1-3-4-9-15-10-8-13-17(14-15)18-19(23)20(24-21(18)22-2)16-11-6-5-7-12-16/h5-8,10-14,20,22H,3-4,9H2,1-2H3