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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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