1-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindol-5-yl]carbonylamino]-3-phenethyl-thiourea

Systemtic Name: 1-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindol-5-yl]carbonylamino]-3-phenethyl-thiourea Openeye Name: 1-[(2-benzyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-3-phenethyl-thiourea CAS Name: 1-[[[1,3-dioxo-2-(phenylmethyl)-5-isoindolyl]-oxomethyl]amino]-3-phenethylthiourea IUPAC Name: 1-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]-3-phenethylthiourea Traditional Name: 1-[(2-benzyl-1,3-diketo-isoindoline-5-carbonyl)amino]-3-phenethyl-thiourea Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3S/c30-22(27-28-25(33)26-14-13-17-7-3-1-4-8-17)19-11-12-20-21(15-19)24(32)29(23(20)31)16-18-9-5-2-6-10-18/h1-12,15H,13-14,16H2,(H,27,30)(H2,26,28,33)