N-[4-[(5-chloranyl-4-methoxy-2-piperidin-1-yl-phenyl)carbamothioylamino]phenyl]ethanamide

Systemtic Name: N-[4-[(5-chloranyl-4-methoxy-2-piperidin-1-yl-phenyl)carbamothioylamino]phenyl]ethanamide Openeye Name: N-[4-[[5-chloro-4-methoxy-2-(1-piperidyl)phenyl]carbamothioylamino]phenyl]acetamide CAS Name: N-[4-[[[5-chloro-4-methoxy-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[(5-chloro-4-methoxy-2-piperidin-1-ylphenyl)carbamothioylamino]phenyl]acetamide Traditional Name: N-[4-[(5-chloro-4-methoxy-2-piperidino-phenyl)thiocarbamoylamino]phenyl]acetamide Formula: C21H25ClN4O2S MolecularWeight: 432.9668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2N3CCCCC3)OC)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2N3CCCCC3)OC)Cl

InChI

InChI=1S/C21H25ClN4O2S/c1-14(27)23-15-6-8-16(9-7-15)24-21(29)25-18-12-17(22)20(28-2)13-19(18)26-10-4-3-5-11-26/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,27)(H2,24,25,29)