N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCCC

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCCC

InChI

InChI=1S/C25H32N4O3S/c1-3-5-23(30)29-16-14-28(15-17-29)21-10-8-20(9-11-21)26-25(33)27-24(31)19-6-12-22(13-7-19)32-18-4-2/h6-13H,3-5,14-18H2,1-2H3,(H2,26,27,31,33)