N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C

InChI

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