N-butyl-4-[4-(2-phenylsulfanylethanoylamino)phenyl]piperazine-1-carboxamide

Systemtic Name: N-butyl-4-[4-(2-phenylsulfanylethanoylamino)phenyl]piperazine-1-carboxamide Openeye Name: N-butyl-4-[4-[(2-phenylsulfanylacetyl)amino]phenyl]piperazine-1-carboxamide CAS Name: N-butyl-4-[4-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[4-[(2-phenylsulfanylacetyl)amino]phenyl]piperazine-1-carboxamide Traditional Name: N-butyl-4-[4-[[2-(phenylthio)acetyl]amino]phenyl]piperazine-1-carboxamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2S/c1-2-3-13-24-23(29)27-16-14-26(15-17-27)20-11-9-19(10-12-20)25-22(28)18-30-21-7-5-4-6-8-21/h4-12H,2-3,13-18H2,1H3,(H,24,29)(H,25,28)