N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-bis(chloranyl)-2-methoxy-benzamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-bis(chloranyl)-2-methoxy-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dichloro-2-methoxy-benzamide CAS Name: 3,5-dichloro-2-methoxy-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dichloro-2-methoxybenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-3,5-dichloro-2-methoxy-benzamide Formula: C23H26Cl2N4O3S MolecularWeight: 509.44854

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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(=CC(=C3OC)Cl)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3OC)Cl)Cl

InChI

InChI=1S/C23H26Cl2N4O3S/c1-3-4-20(30)29-11-9-28(10-12-29)17-7-5-16(6-8-17)26-23(33)27-22(31)18-13-15(24)14-19(25)21(18)32-2/h5-8,13-14H,3-4,9-12H2,1-2H3,(H2,26,27,31,33)