N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-[(4-chlorophenyl)methoxy]-3-methoxy-benzamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-[(4-chlorophenyl)methoxy]-3-methoxy-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-[(4-chlorophenyl)methoxy]-3-methoxy-benzamide CAS Name: 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-4-(4-chlorobenzyl)oxy-3-methoxy-benzamide Formula: C30H33ClN4O4S MolecularWeight: 581.12542

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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)OCC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C30H33ClN4O4S/c1-3-4-28(36)35-17-15-34(16-18-35)25-12-10-24(11-13-25)32-30(40)33-29(37)22-7-14-26(27(19-22)38-2)39-20-21-5-8-23(31)9-6-21/h5-14,19H,3-4,15-18,20H2,1-2H3,(H2,32,33,37,40)