N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[4-(propionylthiocarbamoylamino)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=S)NC(=O)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=S)NC(=O)CC

InChI

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