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

Systemtic Name: 3-[2-(4-chlorophenyl)sulfanylpropanoylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[2-(4-chlorophenyl)sulfanylpropanoylamino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[2-(4-chlorophenyl)sulfanylpropanoylamino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[2-[(4-chlorophenyl)thio]propanoylamino]-4-pyrrolidino-benzamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N)N2CCCC2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N)N2CCCC2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-13(27-16-7-5-15(21)6-8-16)20(26)23-17-12-14(19(22)25)4-9-18(17)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H2,22,25)(H,23,26)