1-[1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]pyrazol-4-yl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]pyrazol-4-yl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[1-[2-(1,3-dioxoisoindolin-2-yl)ethyl]pyrazol-4-yl]thiourea CAS Name: 1-[1-[2-(1,3-dioxo-2-isoindolyl)ethyl]-4-pyrazolyl]-3-prop-2-enylthiourea IUPAC Name: 1-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[1-(2-phthalimidoethyl)pyrazol-4-yl]thiourea Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=CN(N=C1)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C=CCNC(=S)NC1=CN(N=C1)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H17N5O2S/c1-2-7-18-17(25)20-12-10-19-21(11-12)8-9-22-15(23)13-5-3-4-6-14(13)16(22)24/h2-6,10-11H,1,7-9H2,(H2,18,20,25)