1-ethyl-3-[3-(4-nitrophenyl)prop-2-enoylamino]thiourea

Systemtic Name: 1-ethyl-3-[3-(4-nitrophenyl)prop-2-enoylamino]thiourea Openeye Name: 1-ethyl-3-[3-(4-nitrophenyl)prop-2-enoylamino]thiourea CAS Name: 1-ethyl-3-[[3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-ethyl-3-[3-(4-nitrophenyl)prop-2-enoylamino]thiourea Traditional Name: 1-ethyl-3-[[3-(4-nitrophenyl)acryloyl]amino]thiourea Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCNC(=S)NNC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O3S/c1-2-13-12(20)15-14-11(17)8-5-9-3-6-10(7-4-9)16(18)19/h3-8H,2H2,1H3,(H,14,17)(H2,13,15,20)