N-[[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[3-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C24H29ClN4O3S MolecularWeight: 489.03006

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)CC

InChI

InChI=1S/C24H29ClN4O3S/c1-3-16-32-18-10-8-17(9-11-18)23(31)27-24(33)26-20-7-5-6-19(25)22(20)29-14-12-28(13-15-29)21(30)4-2/h5-11H,3-4,12-16H2,1-2H3,(H2,26,27,31,33)