N-[4-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(3-bromo-4-ethoxy-benzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C21H18BrN3O3S2 MolecularWeight: 504.41992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)Br

InChI

InChI=1S/C21H18BrN3O3S2/c1-2-28-17-10-5-13(12-16(17)22)19(26)25-21(29)24-15-8-6-14(7-9-15)23-20(27)18-4-3-11-30-18/h3-12H,2H2,1H3,(H,23,27)(H2,24,25,26,29)