N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[4-(propionylthiocarbamoylamino)phenyl]thiocarbamoyl]-3-propoxy-benzamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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