1-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-3-pentyl-thiourea

Systemtic Name: 1-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-3-pentyl-thiourea Openeye Name: 1-[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]-3-pentyl-thiourea CAS Name: 1-[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-3-pentylthiourea IUPAC Name: 1-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-3-pentylthiourea Traditional Name: 1-amyl-3-(3-phthalimidopropanoylamino)thiourea Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)CCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCCCNC(=S)NNC(=O)CCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C17H22N4O3S/c1-2-3-6-10-18-17(25)20-19-14(22)9-11-21-15(23)12-7-4-5-8-13(12)16(21)24/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,19,22)(H2,18,20,25)