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

Systemtic Name: N-[2-methoxy-4-[(2-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-methoxy-4-[(2-methyl-3-nitro-benzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[2-methoxy-4-[[[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-methoxy-4-[(2-methyl-3-nitrobenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-methoxy-4-[(2-methyl-3-nitro-benzoyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C21H18N4O5S2 MolecularWeight: 470.52142

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O5S2/c1-12-14(5-3-6-16(12)25(28)29)19(26)24-21(31)22-13-8-9-15(17(11-13)30-2)23-20(27)18-7-4-10-32-18/h3-11H,1-2H3,(H,23,27)(H2,22,24,26,31)