N-ethyl-4-[4-[(4-methylsulfanylphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide

Systemtic Name: N-ethyl-4-[4-[(4-methylsulfanylphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide Openeye Name: N-ethyl-4-[4-[(4-methylsulfanylphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide CAS Name: N-ethyl-4-[4-[[[4-(methylthio)anilino]-oxomethyl]amino]phenyl]-1-piperazinecarboxamide IUPAC Name: N-ethyl-4-[4-[(4-methylsulfanylphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide Traditional Name: N-ethyl-4-[4-[[4-(methylthio)phenyl]carbamoylamino]phenyl]piperazine-1-carboxamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCNC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H27N5O2S/c1-3-22-21(28)26-14-12-25(13-15-26)18-8-4-16(5-9-18)23-20(27)24-17-6-10-19(29-2)11-7-17/h4-11H,3,12-15H2,1-2H3,(H,22,28)(H2,23,24,27)