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

Systemtic Name: 1-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]-3-(3-methoxypropyl)-1-methyl-thiourea Openeye Name: 1-[(2-allyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-3-(3-methoxypropyl)-1-methyl-thiourea CAS Name: 1-[[(1,3-dioxo-2-prop-2-enyl-5-isoindolyl)-oxomethyl]amino]-3-(3-methoxypropyl)-1-methylthiourea IUPAC Name: 1-[(1,3-dioxo-2-prop-2-enylisoindole-5-carbonyl)amino]-3-(3-methoxypropyl)-1-methylthiourea Traditional Name: 1-[(2-allyl-1,3-diketo-isoindoline-5-carbonyl)amino]-3-(3-methoxypropyl)-1-methyl-thiourea Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCCCOC)NC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC=C

Isomeric SMILES

CN(C(=S)NCCCOC)NC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC=C

InChI

InChI=1S/C18H22N4O4S/c1-4-9-22-16(24)13-7-6-12(11-14(13)17(22)25)15(23)20-21(2)18(27)19-8-5-10-26-3/h4,6-7,11H,1,5,8-10H2,2-3H3,(H,19,27)(H,20,23)