N-[4-[[5-chloranyl-4-(3-cyanopropoxy)-2-methoxy-phenyl]sulfanylcarbamoylamino]phenyl]ethanamide

Systemtic Name: N-[4-[[5-chloranyl-4-(3-cyanopropoxy)-2-methoxy-phenyl]sulfanylcarbamoylamino]phenyl]ethanamide Openeye Name: N-[4-[[5-chloro-4-(3-cyanopropoxy)-2-methoxy-phenyl]sulfanylcarbamoylamino]phenyl]acetamide CAS Name: N-[4-[[[[[5-chloro-4-(3-cyanopropoxy)-2-methoxyphenyl]thio]amino]-oxomethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[5-chloro-4-(3-cyanopropoxy)-2-methoxyphenyl]sulfanylcarbamoylamino]phenyl]acetamide Traditional Name: N-[4-[[[5-chloro-4-(3-cyanopropoxy)-2-methoxy-phenyl]thio]carbamoylamino]phenyl]acetamide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)NSC2=CC(=C(C=C2OC)OCCCC#N)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)NSC2=CC(=C(C=C2OC)OCCCC#N)Cl

InChI

InChI=1S/C20H21ClN4O4S/c1-13(26)23-14-5-7-15(8-6-14)24-20(27)25-30-19-11-16(21)17(12-18(19)28-2)29-10-4-3-9-22/h5-8,11-12H,3-4,10H2,1-2H3,(H,23,26)(H2,24,25,27)