[(3S)-2,5-bis(oxidanylidene)-1-phenethyl-pyrrolidin-3-yl] N-(2-methoxyphenyl)-N'-methyl-carbamimidothioate

Systemtic Name: [(3S)-2,5-bis(oxidanylidene)-1-phenethyl-pyrrolidin-3-yl] N-(2-methoxyphenyl)-N'-methyl-carbamimidothioate Openeye Name: 2-[(3S)-2,5-dioxo-1-phenethyl-pyrrolidin-3-yl]-1-(2-methoxyphenyl)-3-methyl-isothiourea CAS Name: N-(2-methoxyphenyl)-N'-methylcarbamimidothioic acid [(3S)-2,5-dioxo-1-phenethyl-3-pyrrolidinyl] ester IUPAC Name: [(3S)-2,5-dioxo-1-phenethylpyrrolidin-3-yl] N-(2-methoxyphenyl)-N'-methylcarbamimidothioate Traditional Name: 2-[(3S)-2,5-diketo-1-phenethyl-pyrrolidin-3-yl]-1-(2-methoxyphenyl)-3-methyl-isothiourea Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC1=CC=CC=C1OC)SC2CC(=O)N(C2=O)CCC3=CC=CC=C3

Isomeric SMILES

CN=C(NC1=CC=CC=C1OC)S[C@H]2CC(=O)N(C2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-22-21(23-16-10-6-7-11-17(16)27-2)28-18-14-19(25)24(20(18)26)13-12-15-8-4-3-5-9-15/h3-11,18H,12-14H2,1-2H3,(H,22,23)/t18-/m0/s1