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

Systemtic Name: N-[4-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioylamino]phenyl]ethanamide Openeye Name: N-[4-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioylamino]phenyl]acetamide CAS Name: N-[4-[[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioylamino]phenyl]acetamide Traditional Name: N-[4-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoylamino]phenyl]acetamide Formula: C19H21ClN4OS MolecularWeight: 388.91424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl

InChI

InChI=1S/C19H21ClN4OS/c1-13(25)21-14-4-6-15(7-5-14)22-19(26)23-16-8-9-18(17(20)12-16)24-10-2-3-11-24/h4-9,12H,2-3,10-11H2,1H3,(H,21,25)(H2,22,23,26)