5-[(4-methylsulfanylphenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-[(4-methylsulfanylphenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(4-methylsulfanylphenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[[4-(methylthio)anilino]-oxomethyl]amino]-N-propyl-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(4-methylsulfanylphenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[[4-(methylthio)phenyl]carbamoylamino]-N-propyl-2-pyrrolidino-benzamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCCC3

Isomeric SMILES

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCCC3

InChI

InChI=1S/C22H28N4O2S/c1-3-12-23-21(27)19-15-17(8-11-20(19)26-13-4-5-14-26)25-22(28)24-16-6-9-18(29-2)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,23,27)(H2,24,25,28)