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

Systemtic Name: 3-butoxy-N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-butoxy-benzamide CAS Name: N-[[4-[[acetamido(sulfanylidene)methyl]amino]anilino]-sulfanylidenemethyl]-3-butoxybenzamide IUPAC Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-butoxybenzamide Traditional Name: N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-3-butoxy-benzamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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