1-[4-azanyl-5-cyano-6,7-dimethyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-thiourea

Systemtic Name: 1-[4-azanyl-5-cyano-6,7-dimethyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-thiourea Openeye Name: 1-(4-amino-5-cyano-6,7-dimethyl-1,3-dioxo-isoindolin-2-yl)-3-phenyl-thiourea CAS Name: 1-(4-amino-5-cyano-6,7-dimethyl-1,3-dioxo-2-isoindolyl)-3-phenylthiourea IUPAC Name: 1-(4-amino-5-cyano-6,7-dimethyl-1,3-dioxoisoindol-2-yl)-3-phenylthiourea Traditional Name: 1-(4-amino-5-cyano-1,3-diketo-6,7-dimethyl-isoindolin-2-yl)-3-phenyl-thiourea Formula: C18H15N5O2S MolecularWeight: 365.409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1C)C(=O)N(C2=O)NC(=S)NC3=CC=CC=C3)N)C#N

Isomeric SMILES

CC1=C(C(=C2C(=C1C)C(=O)N(C2=O)NC(=S)NC3=CC=CC=C3)N)C#N

InChI

InChI=1S/C18H15N5O2S/c1-9-10(2)13-14(15(20)12(9)8-19)17(25)23(16(13)24)22-18(26)21-11-6-4-3-5-7-11/h3-7H,20H2,1-2H3,(H2,21,22,26)