propan-2-yl N-[4-(methoxycarbonylcarbamothioylamino)-3-nitro-phenyl]carbamate

Systemtic Name: propan-2-yl N-[4-(methoxycarbonylcarbamothioylamino)-3-nitro-phenyl]carbamate Openeye Name: methyl N-[[4-(isopropoxycarbonylamino)-2-nitro-phenyl]carbamothioyl]carbamate CAS Name: N-[4-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-3-nitrophenyl]carbamic acid propan-2-yl ester IUPAC Name: propan-2-yl N-[4-(methoxycarbonylcarbamothioylamino)-3-nitrophenyl]carbamate Traditional Name: N-[4-(carbomethoxythiocarbamoylamino)-3-nitro-phenyl]carbamic acid isopropyl ester Formula: C13H16N4O6S MolecularWeight: 356.35434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O6S/c1-7(2)23-13(19)14-8-4-5-9(10(6-8)17(20)21)15-11(24)16-12(18)22-3/h4-7H,1-3H3,(H,14,19)(H2,15,16,18,24)