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

Systemtic Name: 1-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-3-cyano-thiophen-2-yl]thiourea Openeye Name: [3-cyano-4-[(1,3-dioxoisoindolin-2-yl)methyl]-2-thienyl]thiourea CAS Name: [3-cyano-4-[(1,3-dioxo-2-isoindolyl)methyl]-2-thiophenyl]thiourea IUPAC Name: [3-cyano-4-[(1,3-dioxoisoindol-2-yl)methyl]thiophen-2-yl]thiourea Traditional Name: [3-cyano-4-(phthalimidomethyl)-2-thienyl]thiourea Formula: C15H10N4O2S2 MolecularWeight: 342.3955

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CSC(=C3C#N)NC(=S)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CSC(=C3C#N)NC(=S)N

InChI

InChI=1S/C15H10N4O2S2/c16-5-11-8(7-23-12(11)18-15(17)22)6-19-13(20)9-3-1-2-4-10(9)14(19)21/h1-4,7H,6H2,(H3,17,18,22)