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

Systemtic Name: 1-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]-3-[(2R)-2-methylheptyl]thiourea Openeye Name: 1-[(2-allyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-3-[(2R)-2-methylheptyl]thiourea CAS Name: 1-[[(1,3-dioxo-2-prop-2-enyl-5-isoindolyl)-oxomethyl]amino]-3-[(2R)-2-methylheptyl]thiourea IUPAC Name: 1-[(1,3-dioxo-2-prop-2-enylisoindole-5-carbonyl)amino]-3-[(2R)-2-methylheptyl]thiourea Traditional Name: 1-[(2-allyl-1,3-diketo-isoindoline-5-carbonyl)amino]-3-[(2R)-2-methylheptyl]thiourea Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[C@@H](C)CNC(=S)NNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC=C

InChI

InChI=1S/C21H28N4O3S/c1-4-6-7-8-14(3)13-22-21(29)24-23-18(26)15-9-10-16-17(12-15)20(28)25(11-5-2)19(16)27/h5,9-10,12,14H,2,4,6-8,11,13H2,1,3H3,(H,23,26)(H2,22,24,29)/t14-/m1/s1