[1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-[(E)-(4-dimethylaminophenyl)methylideneamino]carbamimidothioate

Systemtic Name: [1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-[(E)-(4-dimethylaminophenyl)methylideneamino]carbamimidothioate Openeye Name: 3-[(E)-(4-dimethylaminophenyl)methyleneamino]-2-[1-(4-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]isothiourea CAS Name: N'-[(E)-(4-dimethylaminophenyl)methylideneamino]carbamimidothioic acid [1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(E)-(4-dimethylaminophenyl)methylideneamino]carbamimidothioate Traditional Name: 2-(2,5-diketo-1-p-phenetyl-pyrrolidin-3-yl)-3-[(E)-[4-(dimethylamino)benzylidene]amino]isothiourea Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NN=CC3=CC=C(C=C3)N(C)C)N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)S/C(=N\N=C\C3=CC=C(C=C3)N(C)C)/N

InChI

InChI=1S/C22H25N5O3S/c1-4-30-18-11-9-17(10-12-18)27-20(28)13-19(21(27)29)31-22(23)25-24-14-15-5-7-16(8-6-15)26(2)3/h5-12,14,19H,4,13H2,1-3H3,(H2,23,25)/b24-14+