[1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N,N'-diethylcarbamimidothioate

Systemtic Name: [1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N,N'-diethylcarbamimidothioate Openeye Name: 1,3-diethyl-2-[1-(4-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]isothiourea CAS Name: N,N'-diethylcarbamimidothioic acid [1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N,N'-diethylcarbamimidothioate Traditional Name: 2-[2,5-diketo-1-(4-methoxyphenyl)pyrrolidin-3-yl]-1,3-diethyl-isothiourea Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC)SC1CC(=O)N(C1=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCNC(=NCC)SC1CC(=O)N(C1=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H21N3O3S/c1-4-17-16(18-5-2)23-13-10-14(20)19(15(13)21)11-6-8-12(22-3)9-7-11/h6-9,13H,4-5,10H2,1-3H3,(H,17,18)