5-methyl-4-nitro-N-[4-(prop-2-enylcarbamoylamino)phenyl]thiophene-2-carboxamide

Systemtic Name: 5-methyl-4-nitro-N-[4-(prop-2-enylcarbamoylamino)phenyl]thiophene-2-carboxamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-5-methyl-4-nitro-thiophene-2-carboxamide CAS Name: 5-methyl-4-nitro-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: 5-methyl-4-nitro-N-[4-(prop-2-enylcarbamoylamino)phenyl]thiophene-2-carboxamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-5-methyl-4-nitro-thiophene-2-carboxamide Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S/c1-3-8-17-16(22)19-12-6-4-11(5-7-12)18-15(21)14-9-13(20(23)24)10(2)25-14/h3-7,9H,1,8H2,2H3,(H,18,21)(H2,17,19,22)