2-[2-[(5-chloranyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[2-[(5-chloranyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[2-(5-chloro-2-pyrrolidin-1-yl-anilino)-2-oxo-ethyl]sulfanyl-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[2-[5-chloro-2-(1-pyrrolidinyl)anilino]-2-oxoethyl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[2-(5-chloro-2-pyrrolidin-1-ylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[2-(5-chloro-2-pyrrolidino-anilino)-2-keto-ethyl]thio]-N-(4-methoxyphenyl)acetamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C(C=CC(=C2)Cl)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C(C=CC(=C2)Cl)N3CCCC3

InChI

InChI=1S/C21H24ClN3O3S/c1-28-17-7-5-16(6-8-17)23-20(26)13-29-14-21(27)24-18-12-15(22)4-9-19(18)25-10-2-3-11-25/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,23,26)(H,24,27)