1-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[(2-allyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-3-pentyl-thiourea CAS Name: 1-[[(1,3-dioxo-2-prop-2-enyl-5-isoindolyl)-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[(1,3-dioxo-2-prop-2-enylisoindole-5-carbonyl)amino]-3-pentylthiourea Traditional Name: 1-[(2-allyl-1,3-diketo-isoindoline-5-carbonyl)amino]-3-amyl-thiourea Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC=C

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC=C

InChI

InChI=1S/C18H22N4O3S/c1-3-5-6-9-19-18(26)21-20-15(23)12-7-8-13-14(11-12)17(25)22(10-4-2)16(13)24/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,20,23)(H2,19,21,26)