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

Systemtic Name: N-[4-[(5-chloranyl-4-methoxy-2-pyrrolidin-1-yl-phenyl)carbamothioylamino]phenyl]ethanamide Openeye Name: N-[4-[(5-chloro-4-methoxy-2-pyrrolidin-1-yl-phenyl)carbamothioylamino]phenyl]acetamide CAS Name: N-[4-[[[5-chloro-4-methoxy-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[(5-chloro-4-methoxy-2-pyrrolidin-1-ylphenyl)carbamothioylamino]phenyl]acetamide Traditional Name: N-[4-[(5-chloro-4-methoxy-2-pyrrolidino-phenyl)thiocarbamoylamino]phenyl]acetamide Formula: C20H23ClN4O2S MolecularWeight: 418.94022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2N3CCCC3)OC)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2N3CCCC3)OC)Cl

InChI

InChI=1S/C20H23ClN4O2S/c1-13(26)22-14-5-7-15(8-6-14)23-20(28)24-17-11-16(21)19(27-2)12-18(17)25-9-3-4-10-25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,26)(H2,23,24,28)