N-[4-[[3-chloranyl-4-(1-methylpyrrolidin-3-yl)oxy-phenyl]carbamothioylamino]phenyl]ethanamide

Systemtic Name: N-[4-[[3-chloranyl-4-(1-methylpyrrolidin-3-yl)oxy-phenyl]carbamothioylamino]phenyl]ethanamide Openeye Name: N-[4-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxy-phenyl]carbamothioylamino]phenyl]acetamide CAS Name: N-[4-[[[3-chloro-4-[(1-methyl-3-pyrrolidinyl)oxy]anilino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]carbamothioylamino]phenyl]acetamide Traditional Name: N-[4-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxy-phenyl]thiocarbamoylamino]phenyl]acetamide Formula: C20H23ClN4O2S MolecularWeight: 418.94022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OC3CCN(C3)C)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OC3CCN(C3)C)Cl

InChI

InChI=1S/C20H23ClN4O2S/c1-13(26)22-14-3-5-15(6-4-14)23-20(28)24-16-7-8-19(18(21)11-16)27-17-9-10-25(2)12-17/h3-8,11,17H,9-10,12H2,1-2H3,(H,22,26)(H2,23,24,28)