2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)ethanamide

Systemtic Name: 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)ethanamide Openeye Name: 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]-N-[2-pyrrolidino-2-(2-thienyl)ethyl]acetamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC(C2=CC=CS2)N3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC(C2=CC=CS2)N3CCCC3

InChI

InChI=1S/C21H27N3O2S2/c1-16-6-4-7-17(12-16)23-21(26)15-27-14-20(25)22-13-18(19-8-5-11-28-19)24-9-2-3-10-24/h4-8,11-12,18H,2-3,9-10,13-15H2,1H3,(H,22,25)(H,23,26)