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

Systemtic Name: N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3-isopropoxy-benzamide CAS Name: N-[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: N-[[3-chloro-4-(4-ethylpiperazino)phenyl]thiocarbamoyl]-3-isopropoxy-benzamide Formula: C23H29ClN4O2S MolecularWeight: 461.01996

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OC(C)C)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OC(C)C)Cl

InChI

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