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

Systemtic Name: 1-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindol-5-yl]carbonylamino]-3-tert-butyl-thiourea Openeye Name: 1-[(2-benzyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-3-tert-butyl-thiourea CAS Name: 1-tert-butyl-3-[[[1,3-dioxo-2-(phenylmethyl)-5-isoindolyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]-3-tert-butylthiourea Traditional Name: 1-[(2-benzyl-1,3-diketo-isoindoline-5-carbonyl)amino]-3-tert-butyl-thiourea Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-21(2,3)22-20(29)24-23-17(26)14-9-10-15-16(11-14)19(28)25(18(15)27)12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,23,26)(H2,22,24,29)