N-[(2,4-dimethylphenyl)-(4-oxidanylbutyl)carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[(2,4-dimethylphenyl)-(4-oxidanylbutyl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[N-(4-hydroxybutyl)-2,4-dimethylanilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)thiocarbamoyl]-4-phenyl-benzamide Formula: C26H28N2O2S MolecularWeight: 432.57772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C26H28N2O2S/c1-19-10-15-24(20(2)18-19)28(16-6-7-17-29)26(31)27-25(30)23-13-11-22(12-14-23)21-8-4-3-5-9-21/h3-5,8-15,18,29H,6-7,16-17H2,1-2H3,(H,27,30,31)