N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[[4-(propionylthiocarbamoylamino)phenyl]thiocarbamoyl]benzamide Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H24N4O2S2/c1-4-18(26)24-20(28)22-16-9-11-17(12-10-16)23-21(29)25-19(27)15-7-5-14(6-8-15)13(2)3/h5-13H,4H2,1-3H3,(H2,22,24,26,28)(H2,23,25,27,29)