5-nitro-N-[[(4-propan-2-ylphenyl)carbamothioylamino]carbamoyl]thiophene-3-carboxamide

Systemtic Name: 5-nitro-N-[[(4-propan-2-ylphenyl)carbamothioylamino]carbamoyl]thiophene-3-carboxamide Openeye Name: N-[[(4-isopropylphenyl)carbamothioylamino]carbamoyl]-5-nitro-thiophene-3-carboxamide CAS Name: 5-nitro-N-[oxo-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]hydrazo]methyl]-3-thiophenecarboxamide IUPAC Name: 5-nitro-N-[[(4-propan-2-ylphenyl)carbamothioylamino]carbamoyl]thiophene-3-carboxamide Traditional Name: 5-nitro-N-[(p-cumenylthiocarbamoylamino)carbamoyl]thiophene-3-carboxamide Formula: C16H17N5O4S2 MolecularWeight: 407.46728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)NC(=O)C2=CSC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)NC(=O)C2=CSC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O4S2/c1-9(2)10-3-5-12(6-4-10)17-16(26)20-19-15(23)18-14(22)11-7-13(21(24)25)27-8-11/h3-9H,1-2H3,(H2,17,20,26)(H2,18,19,22,23)