3-(2-methylpropoxy)-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-(2-methylpropoxy)-N-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-isobutoxy-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3-(2-methylpropoxy)-N-[[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-methylpropoxy)-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-isobutoxy-N-[[4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C27H30N4O3S2 MolecularWeight: 522.6821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H30N4O3S2/c1-19(2)18-34-23-6-3-5-20(17-23)25(32)29-27(35)28-21-8-10-22(11-9-21)30-12-14-31(15-13-30)26(33)24-7-4-16-36-24/h3-11,16-17,19H,12-15,18H2,1-2H3,(H2,28,29,32,35)