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

Systemtic Name: 3-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoylamino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-1-oxopropyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoylamino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[2-[[2-keto-2-(p-toluidino)ethyl]thio]propanoylamino]-4-pyrrolidino-benzamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3S/c1-15-5-8-18(9-6-15)25-21(28)14-31-16(2)23(30)26-19-13-17(22(24)29)7-10-20(19)27-11-3-4-12-27/h5-10,13,16H,3-4,11-12,14H2,1-2H3,(H2,24,29)(H,25,28)(H,26,30)