N-[4-[(2-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(2-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(2-methyl-3-nitro-benzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(2-methyl-3-nitrobenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(2-methyl-3-nitro-benzoyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C20H16N4O4S2 MolecularWeight: 440.49544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H16N4O4S2/c1-12-15(4-2-5-16(12)24(27)28)18(25)23-20(29)22-14-9-7-13(8-10-14)21-19(26)17-6-3-11-30-17/h2-11H,1H3,(H,21,26)(H2,22,23,25,29)