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

Systemtic Name: propan-2-yl N-[4-(ethoxycarbonylcarbamothioylamino)-3-nitro-phenyl]carbamate Openeye Name: isopropyl N-[4-(ethoxycarbonylcarbamothioylamino)-3-nitro-phenyl]carbamate CAS Name: N-[4-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-3-nitrophenyl]carbamic acid propan-2-yl ester IUPAC Name: propan-2-yl N-[4-(ethoxycarbonylcarbamothioylamino)-3-nitrophenyl]carbamate Traditional Name: N-[4-(carbethoxythiocarbamoylamino)-3-nitro-phenyl]carbamic acid isopropyl ester Formula: C14H18N4O6S MolecularWeight: 370.38092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O6S/c1-4-23-13(19)17-12(25)16-10-6-5-9(7-11(10)18(21)22)15-14(20)24-8(2)3/h5-8H,4H2,1-3H3,(H,15,20)(H2,16,17,19,25)