4-butoxy-N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-4-butoxy-benzamide CAS Name: N-[[4-[[acetamido(sulfanylidene)methyl]amino]anilino]-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-4-butoxybenzamide Traditional Name: N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-4-butoxy-benzamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=S)NC(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=S)NC(=O)C

InChI

InChI=1S/C21H24N4O3S2/c1-3-4-13-28-18-11-5-15(6-12-18)19(27)25-21(30)24-17-9-7-16(8-10-17)23-20(29)22-14(2)26/h5-12H,3-4,13H2,1-2H3,(H2,22,23,26,29)(H2,24,25,27,30)