1-[2-(2-nitrophenyl)sulfanylethanoylamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[2-(2-nitrophenyl)sulfanylethanoylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[[2-(2-nitrophenyl)sulfanylacetyl]amino]thiourea CAS Name: 1-[[2-[(2-nitrophenyl)thio]-1-oxoethyl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[[2-(2-nitrophenyl)sulfanylacetyl]amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[[2-[(2-nitrophenyl)thio]acetyl]amino]thiourea Formula: C12H14N4O3S2 MolecularWeight: 326.39456

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC(=O)CSC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=S)NNC(=O)CSC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O3S2/c1-2-7-13-12(20)15-14-11(17)8-21-10-6-4-3-5-9(10)16(18)19/h2-6H,1,7-8H2,(H,14,17)(H2,13,15,20)