N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-isobutoxy-benzamide CAS Name: N-[[4-[[acetamido(sulfanylidene)methyl]amino]anilino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-3-isobutoxy-benzamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=S)NC(=O)C

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=S)NC(=O)C

InChI

InChI=1S/C21H24N4O3S2/c1-13(2)12-28-18-6-4-5-15(11-18)19(27)25-21(30)24-17-9-7-16(8-10-17)23-20(29)22-14(3)26/h4-11,13H,12H2,1-3H3,(H2,22,23,26,29)(H2,24,25,27,30)