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

Systemtic Name: 1-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-[(2-allyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-3-benzyl-thiourea CAS Name: 1-[[(1,3-dioxo-2-prop-2-enyl-5-isoindolyl)-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(1,3-dioxo-2-prop-2-enylisoindole-5-carbonyl)amino]thiourea Traditional Name: 1-[(2-allyl-1,3-diketo-isoindoline-5-carbonyl)amino]-3-benzyl-thiourea Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H18N4O3S/c1-2-10-24-18(26)15-9-8-14(11-16(15)19(24)27)17(25)22-23-20(28)21-12-13-6-4-3-5-7-13/h2-9,11H,1,10,12H2,(H,22,25)(H2,21,23,28)