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

Systemtic Name: 1-[4-[4-chloranyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-phenyl]-3-phenyl-thiourea Openeye Name: 1-[4-(4-chloro-1,3-dioxo-isoindolin-2-yl)-3-methyl-phenyl]-3-phenyl-thiourea CAS Name: 1-[4-(4-chloro-1,3-dioxo-2-isoindolyl)-3-methylphenyl]-3-phenylthiourea IUPAC Name: 1-[4-(4-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-3-phenylthiourea Traditional Name: 1-[4-(4-chloro-1,3-diketo-isoindolin-2-yl)-3-methyl-phenyl]-3-phenyl-thiourea Formula: C22H16ClN3O2S MolecularWeight: 421.89934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC2=CC=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC2=CC=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)Cl

InChI

InChI=1S/C22H16ClN3O2S/c1-13-12-15(25-22(29)24-14-6-3-2-4-7-14)10-11-18(13)26-20(27)16-8-5-9-17(23)19(16)21(26)28/h2-12H,1H3,(H2,24,25,29)