1-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-3-cyano-thiophen-2-yl]-3-phenyl-thiourea

Systemtic Name: 1-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-3-cyano-thiophen-2-yl]-3-phenyl-thiourea Openeye Name: 1-[3-cyano-4-[(1,3-dioxoisoindolin-2-yl)methyl]-2-thienyl]-3-phenyl-thiourea CAS Name: 1-[3-cyano-4-[(1,3-dioxo-2-isoindolyl)methyl]-2-thiophenyl]-3-phenylthiourea IUPAC Name: 1-[3-cyano-4-[(1,3-dioxoisoindol-2-yl)methyl]thiophen-2-yl]-3-phenylthiourea Traditional Name: 1-[3-cyano-4-(phthalimidomethyl)-2-thienyl]-3-phenyl-thiourea Formula: C21H14N4O2S2 MolecularWeight: 418.49146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=C(C(=CS2)CN3C(=O)C4=CC=CC=C4C3=O)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=C(C(=CS2)CN3C(=O)C4=CC=CC=C4C3=O)C#N

InChI

InChI=1S/C21H14N4O2S2/c22-10-17-13(11-25-19(26)15-8-4-5-9-16(15)20(25)27)12-29-18(17)24-21(28)23-14-6-2-1-3-7-14/h1-9,12H,11H2,(H2,23,24,28)