N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O3S/c1-4-22(29)28-14-12-27(13-15-28)20-10-8-19(9-11-20)25-24(32)26-23(30)18-6-5-7-21(16-18)31-17(2)3/h5-11,16-17H,4,12-15H2,1-3H3,(H2,25,26,30,32)