3-[2-(4-methylphenyl)sulfanylpropanoylamino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-[2-(4-methylphenyl)sulfanylpropanoylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[2-(p-tolylsulfanyl)propanoylamino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[2-[(4-methylphenyl)thio]-1-oxopropyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[2-(4-methylphenyl)sulfanylpropanoylamino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[2-(p-tolylthio)propanoylamino]-4-pyrrolidino-benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCC3

InChI

InChI=1S/C21H25N3O2S/c1-14-5-8-17(9-6-14)27-15(2)21(26)23-18-13-16(20(22)25)7-10-19(18)24-11-3-4-12-24/h5-10,13,15H,3-4,11-12H2,1-2H3,(H2,22,25)(H,23,26)