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

Systemtic Name: 3-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[[2-[[2-keto-2-(p-toluidino)ethyl]thio]acetyl]amino]-4-pyrrolidino-benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-15-4-7-17(8-5-15)24-20(27)13-30-14-21(28)25-18-12-16(22(23)29)6-9-19(18)26-10-2-3-11-26/h4-9,12H,2-3,10-11,13-14H2,1H3,(H2,23,29)(H,24,27)(H,25,28)