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

Systemtic Name: [1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-[(E)-(4-dimethylaminophenyl)methylideneamino]carbamimidothioate Openeye Name: 3-[(E)-(4-dimethylaminophenyl)methyleneamino]-2-[1-(4-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]isothiourea CAS Name: N'-[(E)-(4-dimethylaminophenyl)methylideneamino]carbamimidothioic acid [1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(E)-(4-dimethylaminophenyl)methylideneamino]carbamimidothioate Traditional Name: 2-[2,5-diketo-1-(4-methoxyphenyl)pyrrolidin-3-yl]-3-[(E)-[4-(dimethylamino)benzylidene]amino]isothiourea Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=NN=C(N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=N/N=C(/N)\SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N5O3S/c1-25(2)15-6-4-14(5-7-15)13-23-24-21(22)30-18-12-19(27)26(20(18)28)16-8-10-17(29-3)11-9-16/h4-11,13,18H,12H2,1-3H3,(H2,22,24)/b23-13+