N-[2-(cyclohexen-1-yl)ethyl-(4-oxidanylbutyl)carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl-(4-oxidanylbutyl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[2-(1-cyclohexenyl)ethyl-(4-hydroxybutyl)amino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)thiocarbamoyl]-4-phenyl-benzamide Formula: C26H32N2O2S MolecularWeight: 436.60948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN(CCCCO)C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=CC1)CCN(CCCCO)C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H32N2O2S/c29-20-8-7-18-28(19-17-21-9-3-1-4-10-21)26(31)27-25(30)24-15-13-23(14-16-24)22-11-5-2-6-12-22/h2,5-6,9,11-16,29H,1,3-4,7-8,10,17-20H2,(H,27,30,31)