O-propan-2-yl [1-[(4-nitrophenyl)carbamoylamino]-1-oxidanylidene-propan-2-yl]sulfanylmethanethioate

Systemtic Name: O-propan-2-yl [1-[(4-nitrophenyl)carbamoylamino]-1-oxidanylidene-propan-2-yl]sulfanylmethanethioate Openeye Name: O-isopropyl [1-methyl-2-[(4-nitrophenyl)carbamoylamino]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[1-[[(4-nitroanilino)-oxomethyl]amino]-1-oxopropan-2-yl]thio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl [1-[(4-nitrophenyl)carbamoylamino]-1-oxopropan-2-yl]sulfanylmethanethioate Traditional Name: [[2-keto-1-methyl-2-[(4-nitrophenyl)carbamoylamino]ethyl]thio]methanethioic acid O-isopropyl ester Formula: C14H17N3O5S2 MolecularWeight: 371.43188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SC(C)C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=S)SC(C)C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5S2/c1-8(2)22-14(23)24-9(3)12(18)16-13(19)15-10-4-6-11(7-5-10)17(20)21/h4-9H,1-3H3,(H2,15,16,18,19)