2-[3-[(5-chloranyl-4-methoxy-2-piperidin-1-yl-phenyl)sulfanylcarbamoylamino]phenyl]ethanamide

Systemtic Name: 2-[3-[(5-chloranyl-4-methoxy-2-piperidin-1-yl-phenyl)sulfanylcarbamoylamino]phenyl]ethanamide Openeye Name: 2-[3-[[5-chloro-4-methoxy-2-(1-piperidyl)phenyl]sulfanylcarbamoylamino]phenyl]acetamide CAS Name: 2-[3-[[[[[5-chloro-4-methoxy-2-(1-piperidinyl)phenyl]thio]amino]-oxomethyl]amino]phenyl]acetamide IUPAC Name: 2-[3-[(5-chloro-4-methoxy-2-piperidin-1-ylphenyl)sulfanylcarbamoylamino]phenyl]acetamide Traditional Name: 2-[3-[[(5-chloro-4-methoxy-2-piperidino-phenyl)thio]carbamoylamino]phenyl]acetamide Formula: C21H25ClN4O3S MolecularWeight: 448.9662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N2CCCCC2)SNC(=O)NC3=CC=CC(=C3)CC(=O)N)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)N2CCCCC2)SNC(=O)NC3=CC=CC(=C3)CC(=O)N)Cl

InChI

InChI=1S/C21H25ClN4O3S/c1-29-18-13-17(26-8-3-2-4-9-26)19(12-16(18)22)30-25-21(28)24-15-7-5-6-14(10-15)11-20(23)27/h5-7,10,12-13H,2-4,8-9,11H2,1H3,(H2,23,27)(H2,24,25,28)