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

Systemtic Name: N-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-2-pyrrolidin-1-yl-benzamide CAS Name: N-(2-methoxyethyl)-5-[[[4-(methylthio)anilino]-oxomethyl]amino]-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(2-methoxyethyl)-5-[[4-(methylthio)phenyl]carbamoylamino]-2-pyrrolidino-benzamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3S/c1-29-14-11-23-21(27)19-15-17(7-10-20(19)26-12-3-4-13-26)25-22(28)24-16-5-8-18(30-2)9-6-16/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,27)(H2,24,25,28)