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

Systemtic Name: 1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-chloranyl-2-methyl-phenyl)thiourea Openeye Name: 1-(4-chloro-2-methyl-phenyl)-3-(1,3-dioxoisoindolin-2-yl)thiourea CAS Name: 1-(4-chloro-2-methylphenyl)-3-(1,3-dioxo-2-isoindolyl)thiourea IUPAC Name: 1-(4-chloro-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)thiourea Traditional Name: 1-(4-chloro-2-methyl-phenyl)-3-phthalimido-thiourea Formula: C16H12ClN3O2S MolecularWeight: 345.80338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=S)NN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=S)NN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H12ClN3O2S/c1-9-8-10(17)6-7-13(9)18-16(23)19-20-14(21)11-4-2-3-5-12(11)15(20)22/h2-8H,1H3,(H2,18,19,23)