3-methoxy-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-methoxy-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-methoxy-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3-methoxy-N-[[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methoxy-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-3-methoxy-benzamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3S/c1-16(2)22(29)27-13-11-26(12-14-27)19-9-7-18(8-10-19)24-23(31)25-21(28)17-5-4-6-20(15-17)30-3/h4-10,15-16H,11-14H2,1-3H3,(H2,24,25,28,31)