1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)-4-nitro-phenyl]thiourea

Systemtic Name: 1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)-4-nitro-phenyl]thiourea Openeye Name: 1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)-4-nitro-phenyl]thiourea CAS Name: 1-(2-hydroxyethyl)-3-methyl-1-[2-[[methylamino(sulfanylidene)methyl]amino]-4-nitrophenyl]thiourea IUPAC Name: 1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)-4-nitrophenyl]thiourea Traditional Name: 1-(2-hydroxyethyl)-3-methyl-1-[2-(methylthiocarbamoylamino)-4-nitro-phenyl]thiourea Formula: C12H17N5O3S2 MolecularWeight: 343.42508

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])N(CCO)C(=S)NC

Isomeric SMILES

CNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])N(CCO)C(=S)NC

InChI

InChI=1S/C12H17N5O3S2/c1-13-11(21)15-9-7-8(17(19)20)3-4-10(9)16(5-6-18)12(22)14-2/h3-4,7,18H,5-6H2,1-2H3,(H,14,22)(H2,13,15,21)