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

Systemtic Name: 1-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[[4-(1,3-dioxoisoindolin-2-yl)benzoyl]amino]-3-pentyl-thiourea CAS Name: 1-[[[4-(1,3-dioxo-2-isoindolyl)phenyl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(4-phthalimidobenzoyl)amino]thiourea Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

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