5-methyl-4-nitro-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: 5-methyl-4-nitro-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]thiophene-2-carboxamide Openeye Name: N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-5-methyl-4-nitro-thiophene-2-carboxamide CAS Name: 5-methyl-4-nitro-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: 5-methyl-4-nitro-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]thiophene-2-carboxamide Traditional Name: N-[4-(isopropylcarbamoylamino)benzyl]-5-methyl-4-nitro-thiophene-2-carboxamide Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)NCC2=CC=C(C=C2)NC(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)NCC2=CC=C(C=C2)NC(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S/c1-10(2)19-17(23)20-13-6-4-12(5-7-13)9-18-16(22)15-8-14(21(24)25)11(3)26-15/h4-8,10H,9H2,1-3H3,(H,18,22)(H2,19,20,23)