N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[3-chloro-4-(4-ethylpiperazino)phenyl]thiocarbamoyl]-3-propoxy-benzamide Formula: C23H29ClN4O2S MolecularWeight: 461.01996

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)CC)Cl

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)CC)Cl

InChI

InChI=1S/C23H29ClN4O2S/c1-3-14-30-19-7-5-6-17(15-19)22(29)26-23(31)25-18-8-9-21(20(24)16-18)28-12-10-27(4-2)11-13-28/h5-9,15-16H,3-4,10-14H2,1-2H3,(H2,25,26,29,31)